3-butyn-1-ol
2-hydroxyethylacetylene
Identification
| Name | 3-butyn-1-ol |
| IUPAC | but-3-yn-1-ol |
| CAS Number | 927-74-2 |
| EINECS | 213-161-9 |
| FDA UNII | P74L430293 |
| Molecular Formula | C4 H6 O |
| Molecular Weight | 70.09102000 |
| MDL Number | MFCD00002955 |
| Nikkaji Number | J1.744B |
| Beilstein | 0773710 |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | -63.60 °C. @ 760.00 mm Hg |
| Boiling Point | 129.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 4.411000 mmHg @ 25.00 °C. (est) |
| Flash Point | 97.00 °F. TCC ( 36.10 °C. ) (est) |
| logP (o/w) | 0.130 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | intravenous-mouse LD50 100 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements', 'U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05171']
Safety in Use
| Category | natural substances and extractives |
| Recommendation for 3-butyn-1-ol usage levels up to | not for fragrance use. |
| Recommendation for 3-butyn-1-ol flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
but-3-yn-1-ol
2-
hydroxyethylacetylene
PubMed:
Reactivity of Cl atom with triple-bonded molecules. An experimental and theoretical study with alcohols.
PubMed:
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RWJ 67657, a potent, orally active inhibitor of p38 mitogen-activated protein kinase.
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Lipase specificity toward some acetylenic and olefinic alcohols in the esterification of pentanoic and stearic acids.
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Ion-molecule reactions and collision-activated dissociation of C4H 4 (+.) isomers: A case study in the use of the MS (3) capabilities of a pentaquadrupole mass spectrometer.
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Replacement of carcinogenic alkylating agent ethylene oxide in the synthesis of (Z)-3-dodecen-1-YL (E)-2-butenoate, sex pheromone of sweet-potato weevil,Cylas formicarius elegantulus (summers) andCylas formicarius formicarius (F.).
PubMed:
The toxicity of acetylenic alcohols to the fathead minnow, Pimephales promelas: narcosis and proelectrophile activation.
PubMed:
Stereospecific synthesis of (Z,Z)-3,5-tetradecadienoic acid, a component ofAttagenus elongatulus (Casey) pheromone.
PubMed:
Inactivation of alcohol dehydrogenase by 3-butyn-1-ol.