| Record Information |
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| Version | 3.6 |
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| Creation Date | 2005-11-16 15:48:42 UTC |
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| Update Date | 2013-04-22 20:39:04 UTC |
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| HMDB ID | HMDB00820 |
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| Secondary Accession Numbers | None |
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| Metabolite Identification |
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| Common Name | Propyl alcohol |
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| Description | Propyl alcohol is a colorless liquid made by oxidation of aliphatic hydrocarbons that is used as a solvent and chemical intermediate. Propyl alcohol is a primary alcohol with the formula CH3CH2CH2OH. It is also known as propan-1-ol, 1-propanol, 1-propyl alcohol, n-propyl alcohol, or simply propanol. It is an isomer of propan-2-ol. It is used as a solvent in the pharmaceutical industry, and for resins and cellulose esters. It is formed naturally in small amounts during many fermentation processes and small amounts are produced by gut microflora. |
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| Structure | |
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| Synonyms | - 1-Hydroxypropane
- 1-Propanol
- 1-Propyl alcohol
- Ethylcarbinol
- Hydroxypropane
- N-Propan-1-ol
- N-Propanol
- Optal
- Propan-1-ol
- Propane-1-ol
- Propanol
- Propanol-1
- Propanole
- Propanolen
- Propyl alcohol
- Propylan-propyl alcohol
- Propylic alcohol
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| Chemical Formula | C3H8O |
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| Average Molecular Weight | 60.095 |
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| Monoisotopic Molecular Weight | 60.057514878 |
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| IUPAC Name | propan-1-ol |
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| Traditional IUPAC Name | 1-proponol |
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| CAS Registry Number | 71-23-8 |
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| SMILES | CCCO |
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| InChI Identifier | InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3 |
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| InChI Key | BDERNNFJNOPAEC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | Organic Compounds |
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| Super Class | Aliphatic Acyclic Compounds |
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| Class | Alcohols and Polyols |
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| Sub Class | Primary Alcohols |
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| Other Descriptors | - Aliphatic Acyclic Compounds
- Fatty alcohols(Lipidmaps)
- a primary alcohol(Cyc)
- a short-chain alcohol(Cyc)
- propan-1-ols(ChEBI)
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| Substituents | |
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| Direct Parent | Primary Alcohols |
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| Ontology |
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| Status | Detected and Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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| Physical Properties |
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| State | Liquid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | -126.1 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | 1000.0 mg/mL | Not Available | | LogP | 0.25 | HANSCH,C ET AL. (1995) |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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| General References |
- Sich B, Kirch U, Tepel M, Zidek W, Schoner W: Pulse pressure correlates in humans with a proscillaridin A immunoreactive compound. Hypertension. 1996 May;27(5):1073-8.
Pubmed: 8621199
- Glaros EN, Kim WS, Quinn CM, Wong J, Gelissen I, Jessup W, Garner B: Glycosphingolipid accumulation inhibits cholesterol efflux via the ABCA1/apolipoprotein A-I pathway: 1-phenyl-2-decanoylamino-3-morpholino-1-propanol is a novel cholesterol efflux accelerator. J Biol Chem. 2005 Jul 1;280(26):24515-23. Epub 2005 May 11.
Pubmed: 15890646
- Lozier J, Takahashi N, Putnam FW: Purification of cyanogen bromide fragments from beta-2-glycoprotein I by high-performance liquid chromatography. J Chromatogr. 1983 Aug 26;266:545-54.
Pubmed: 6630361
- Liebich HM, Al-Babbili O, Zlatkis A, Kim K: Gas-chromatographic and mass-spectrometric detection of low-molecular-weight aliphatic alcohols in urine of normal individuals and patients with diabetes mellitus. Clin Chem. 1975 Aug;21(9):1294-6.
Pubmed: 1149234
- Flick JA, Schnaar RL, Perman JA: Thin-layer chromatographic determination of urinary excretion of lactulose, simplified and applied to cystic fibrosis patients. Clin Chem. 1987 Jul;33(7):1211-2.
Pubmed: 3594850
- Moriya F, Hashimoto Y: Endogenous ethanol production in trauma victims associated with medical treatment. Nihon Hoigaku Zasshi. 1996 Aug;50(4):263-7.
Pubmed: 8810749
- Kuba J, Knoll P, Husak V, Charamza O, Wiedermann M, Krc I: [On the use of Hg-197 labeled bromomercury hydroxypropane in splenic scintigraphy] Z Gesamte Inn Med. 1965 Jul 15;20(14):431-6.
Pubmed: 5891990
- Schwartz KD, Knoll P, Hamann D, Loechel M, Potschwadek B: [Scintigraphy of the spleen with bromomercuric hydroxypropane (197Hg-BMHP)] Fortschr Geb Rontgenstr Nuklearmed. 1965 Sep;103(3):367-76.
Pubmed: 5893996
- Li R, Manela J, Kong Y, Ladisch S: Cellular gangliosides promote growth factor-induced proliferation of fibroblasts. J Biol Chem. 2000 Nov 3;275(44):34213-23.
Pubmed: 10859325
- Paravidino GF, Pagliaini R: [Splenic scintigraphy using erythrocytes devitalized by mercury hydroxypropane and labelled with Hg 197 or Cr 51] Arch Maragliano Patol Clin. 1969 Nov-Dec;25(6):459-66.
Pubmed: 5409093
- Rej R: Effect of incubation with Mg2+ on the measurement of alkaline phosphatase activity. Clin Chem. 1977 Oct;23(10):1903-11.
Pubmed: 902417
- van Ketel WG: Allergy to benzylamine and benzyl-1-amino-3 chloro-2 hydroxypropane. Contact Dermatitis. 1984 Sep;11(3):186.
Pubmed: 6238790
- Dodde WI, Maring JG, Hendriks G, Wachters FM, Groen HJ, de Vries EG, Uges DR: Determination of epirubicin and its metabolite epirubicinol in saliva and plasma by HPLC. Ther Drug Monit. 2003 Aug;25(4):433-40.
Pubmed: 12883225
- Durley RC, Grapperhaus ML, Hickory BS, Massa MA, Wang JL, Spangler DP, Mischke DA, Parnas BL, Fobian YM, Rath NP, Honda DD, Zeng M, Connolly DT, Heuvelman DM, Witherbee BJ, Melton MA, Glenn KC, Krul ES, Smith ME, Sikorski JA: Chiral N,N-disubstituted trifluoro-3-amino-2-propanols are potent inhibitors of cholesteryl ester transfer protein. J Med Chem. 2002 Aug 29;45(18):3891-904.
Pubmed: 12190312
- Memon N, Bhanger MI, Khuhawer MY: Determination of preservatives in cosmetics and food samples by micellar liquid chromatography. J Sep Sci. 2005 May;28(7):635-8.
Pubmed: 15912732
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