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Showing metabocard for 2-Phenoxyethanol (HMDB0041607)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-12 03:18:00 UTC
Update Date2023-02-21 17:28:52 UTC
HMDB IDHMDB0041607
Secondary Accession Numbers
  • HMDB41607
Metabolite Identification
Common Name2-Phenoxyethanol
Description2-Phenoxyethanol, also known as phenoxytol or phenyl cellosolve, belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. Based on a literature review a significant number of articles have been published on 2-Phenoxyethanol.
Structure
Data?1677000532
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0041607 (2-Phenoxyethanol)


  Mrv1652303202019012D          

 10 10  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
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3D MOL for HMDB0041607 (2-Phenoxyethanol)

HMDB0041607
     RDKit          3D
2-Phenoxyethanol
 20 20  0  0  0  0  0  0  0  0999 V2000
    3.9087    0.1813   -0.2250 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5307    0.4582   -0.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    0.3856    1.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5454    0.6479    0.9563 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5689    0.1489    0.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7846    0.8285    0.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9675    0.3720    0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0091   -0.7649   -0.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8519   -1.4515   -0.8967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6534   -0.9858   -0.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3432    0.6916   -0.9377 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0266   -0.2374   -1.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3953    1.5211   -0.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3709    1.1718    1.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1405   -0.5696    1.5599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7607    1.7261    1.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9092    0.9060    0.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9600   -1.1040   -1.0904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9014   -2.3508   -1.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2387   -1.5750   -0.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  6 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
M  END
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3D SDF for HMDB0041607 (2-Phenoxyethanol)


  Mrv1652303202019012D          

 10 10  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0041607

> <DATABASE_NAME>
hmdb

> <SMILES>
OCCOC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2

> <INCHI_KEY>
QCDWFXQBSFUVSP-UHFFFAOYSA-N

> <FORMULA>
C8H10O2

> <MOLECULAR_WEIGHT>
138.166

> <EXACT_MASS>
138.068079562

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
14.913745490860894

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-phenoxyethan-1-ol

> <ALOGPS_LOGP>
1.22

> <JCHEM_LOGP>
1.1254725383333333

> <ALOGPS_LOGS>
-0.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.102173105114254

> <JCHEM_PKA_STRONGEST_BASIC>
-2.754109483823025

> <JCHEM_POLAR_SURFACE_AREA>
29.46

> <JCHEM_REFRACTIVITY>
38.8135

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.41e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phenoxyethanol

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0041607 (2-Phenoxyethanol)

HMDB0041607
     RDKit          3D
2-Phenoxyethanol
 20 20  0  0  0  0  0  0  0  0999 V2000
    3.9087    0.1813   -0.2250 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5307    0.4582   -0.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    0.3856    1.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5454    0.6479    0.9563 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5689    0.1489    0.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7846    0.8285    0.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9675    0.3720    0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0091   -0.7649   -0.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8519   -1.4515   -0.8967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6534   -0.9858   -0.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3432    0.6916   -0.9377 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0266   -0.2374   -1.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3953    1.5211   -0.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3709    1.1718    1.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1405   -0.5696    1.5599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7607    1.7261    1.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9092    0.9060    0.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9600   -1.1040   -1.0904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9014   -2.3508   -1.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2387   -1.5750   -0.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  6 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
M  END
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PDB for HMDB0041607 (2-Phenoxyethanol)

HEADER    PROTEIN                                 20-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-MAR-20         0                                  
HETATM    1  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -1.334   6.930   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
CONECT    1    2    3                                                       
CONECT    2    1    4                                                       
CONECT    3    1    5                                                       
CONECT    4    2    8                                                       
CONECT    5    3    8                                                       
CONECT    6    7    9                                                       
CONECT    7    6   10                                                       
CONECT    8    4    5   10                                                  
CONECT    9    6                                                            
CONECT   10    7    8                                                       
MASTER        0    0    0    0    0    0    0    0   10    0   20    0
END
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3D PDB for HMDB0041607 (2-Phenoxyethanol)

COMPND    HMDB0041607
HETATM    1  O1  UNL     1       3.909   0.181  -0.225  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.531   0.458  -0.325  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.867   0.386   1.028  1.00  0.00           C  
HETATM    4  O2  UNL     1       0.545   0.648   0.956  1.00  0.00           O  
HETATM    5  C3  UNL     1      -0.569   0.149   0.405  1.00  0.00           C  
HETATM    6  C4  UNL     1      -1.785   0.828   0.608  1.00  0.00           C  
HETATM    7  C5  UNL     1      -2.968   0.372   0.073  1.00  0.00           C  
HETATM    8  C6  UNL     1      -3.009  -0.765  -0.679  1.00  0.00           C  
HETATM    9  C7  UNL     1      -1.852  -1.452  -0.897  1.00  0.00           C  
HETATM   10  C8  UNL     1      -0.653  -0.986  -0.353  1.00  0.00           C  
HETATM   11  H1  UNL     1       4.343   0.692  -0.938  1.00  0.00           H  
HETATM   12  H2  UNL     1       2.027  -0.237  -1.003  1.00  0.00           H  
HETATM   13  H3  UNL     1       2.395   1.521  -0.672  1.00  0.00           H  
HETATM   14  H4  UNL     1       2.371   1.172   1.651  1.00  0.00           H  
HETATM   15  H5  UNL     1       2.141  -0.570   1.560  1.00  0.00           H  
HETATM   16  H6  UNL     1      -1.761   1.726   1.200  1.00  0.00           H  
HETATM   17  H7  UNL     1      -3.909   0.906   0.235  1.00  0.00           H  
HETATM   18  H8  UNL     1      -3.960  -1.104  -1.090  1.00  0.00           H  
HETATM   19  H9  UNL     1      -1.901  -2.351  -1.495  1.00  0.00           H  
HETATM   20  H10 UNL     1       0.239  -1.575  -0.541  1.00  0.00           H  
CONECT    1    2   11
CONECT    2    3   12   13
CONECT    3    4   14   15
CONECT    4    5
CONECT    5    6    6   10
CONECT    6    7   16
CONECT    7    8    8   17
CONECT    8    9   18
CONECT    9   10   10   19
CONECT   10   20
END
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SMILES for HMDB0041607 (2-Phenoxyethanol)

OCCOC1=CC=CC=C1
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INCHI for HMDB0041607 (2-Phenoxyethanol)

InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
1-Hydroxy-2-phenoxyethaneChEBI
2-Hydroxyethyl phenyl etherChEBI
2-Phenoxyethyl alcoholChEBI
beta-Hydroxyethyl phenyl etherChEBI
Ethylene glycol monophenyl etherChEBI
PhenoxyethanolChEBI
PhenoxytolChEBI
Phenyl cellosolveChEBI
Phenylmonoglycol etherChEBI
Fungal terminatorKegg
b-Hydroxyethyl phenyl etherGenerator
Β-hydroxyethyl phenyl etherGenerator
2-Phenoxyethanol, 9ciHMDB
Dalpad aHMDB
Ethylene glycol phenyl etherHMDB
Newpol efpHMDB
PhenoxetolHMDB
PhenylcellosolveHMDB
EmuclensMeSH
EriseptMeSH
PhenoxetholMeSH
Chemical FormulaC8H10O2
Average Molecular Weight138.166
Monoisotopic Molecular Weight138.068079562
IUPAC Name2-phenoxyethan-1-ol
Traditional Namephenoxyethanol
CAS Registry Number122-99-6
SMILES
OCCOC1=CC=CC=C1
InChI Identifier
InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChI KeyQCDWFXQBSFUVSP-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenol ethers
Sub ClassNot Available
Direct ParentPhenol ethers
Alternative Parents
Substituents
  • Phenoxy compound
  • Phenol ether
  • Alkyl aryl ether
  • Monocyclic benzene moiety
  • Ether
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Alcohol
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effect
Health effect
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Industrial applicationBiological role
Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting Point11-13 °CNot Available
Boiling Point237.00 to 238.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility26700 mg/L @ 20 °C (exp)The Good Scents Company Information System
LogP1.160The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility24.1 g/LALOGPS
logP1.22ALOGPS
logP1.13ChemAxon
logS-0.76ALOGPS
pKa (Strongest Acidic)15.1ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area29.46 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity38.81 m³·mol⁻¹ChemAxon
Polarizability14.91 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+127.82131661259
DarkChem[M-H]-124.34531661259
DeepCCS[M+H]+127.92730932474
DeepCCS[M-H]-124.78130932474
DeepCCS[M-2H]-161.77130932474
DeepCCS[M+Na]+136.69930932474
AllCCS[M+H]+129.632859911
AllCCS[M+H-H2O]+125.032859911
AllCCS[M+NH4]+133.932859911
AllCCS[M+Na]+135.132859911
AllCCS[M-H]-129.132859911
AllCCS[M+Na-2H]-130.832859911
AllCCS[M+HCOO]-132.832859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.3.22 minutes32390414
Predicted by Siyang on May 30, 202211.1162 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20224.84 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1609.9 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid387.0 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid140.6 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid231.1 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid177.9 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid418.7 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid470.6 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)91.1 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid912.7 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid344.1 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1053.2 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid301.0 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid341.3 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate395.8 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA271.2 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water66.8 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2-PhenoxyethanolOCCOC1=CC=CC=C11838.2Standard polar33892256
2-PhenoxyethanolOCCOC1=CC=CC=C11203.9Standard non polar33892256
2-PhenoxyethanolOCCOC1=CC=CC=C11226.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2-Phenoxyethanol,1TMS,isomer #1C[Si](C)(C)OCCOC1=CC=CC=C11352.7Semi standard non polar33892256
2-Phenoxyethanol,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCCOC1=CC=CC=C11578.1Semi standard non polar33892256
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Feces
  • Saliva
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Not SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB11304
Phenol Explorer Compound IDNot Available
FooDB IDFDB021762
KNApSAcK IDC00055732
Chemspider ID13848467
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPhenoxyethanol
METLIN IDNot Available
PubChem Compound31236
PDB ID268
ChEBI ID64275
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1012571
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .