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Creative Commons Attribution-ShareAlike 3.0 United States Inherent Properties, Identifiers and References
ChemSpider ID: 13872989
Empirical Formula: C3H6O
Molecular Weight: 58.0791
Nominal Mass: 58 Da
Average Mass: 58.0791 Da
Monoisotopic Mass: 58.041865 Da
Systematic Name: prop-2-en-1-ol
SMILES: C=CCO
InChI: InChI=1/C3H6O/c1-2-3-4/h2,4H,1,3H2
InChIKey: XXROGKLTLUQVRX-UHFFFAOYAC
Creative Commons Attribution-ShareAlike 3.0 United States (Details...) Original Reference(s)
}} Allyl alcohol or 2-propen-1-ol is an organic compound with the formula CH2=CHCH2OH. It is a water soluble, colourless liquid with an ethanol like odour at low concentrations and a mustard-like pungent odour at higher concentration. Allyl alcohol is used as a pesticide and as a raw material for the production of many chemical compounds. Allyl alcohol can be obtained by many methods: hydrolysis of allyl chloride, by oxidation of propylene oxide with potassium alum at high temperature, dehydrogenation of propanol, and the by reaction of glycerol and formic acid. Allyl alcohol is the smallest representative of the allylic alcohols. Allyl alcohols in general can be prepared by allylic oxidation of allyl compounds by for instance selenium dioxide. Read more...
Creative Commons Attribution-ShareAlike 3.0 United States Disclaimer (Details...) Supplemental Information

User Data

  • identifiers
    • Chemical Name: Allyl alcohol
  • experimental physchem properties
    • Melting Point: -129 C
    • Boiling Point: 205F
    • Boiling Point: 97 C
    • Flash Point: 70F
    • Flash Point: 21 C
    • Freezing Point: -200F
    • Specific Gravity: 0.85
    • Solubility: Miscible
    • Ionization Potential: 9.63 eV
    • Vapor Pressure: 17 mmHg
  • miscellaneous
    • Appearance: Colorless liquid with a pungent, mustard-like odor.
    • First Aid: Eye: Irrigate immediately Skin: Water flush immediately Breathing: Respiratory support Swallow: Medical attention immediately
    • Exposure Routes: inhalation, skin absorption, ingestion, skin and/or eye contact
    • Symptoms: Eye irritation, tissue damage; irritation upper respiratory system, skin; pulmonary edema
    • Target Organs: Eyes, skin, respiratory system
    • Incompatibilities and Reactivities: Strong oxidizers, acids, carbon tetrachloride [Note: Polymerization may be caused by elevated temperatures, oxidizers, or peroxides.]
    • Personal protection and Sanitation: Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated Remove: When wet (flammable) Change: No recommendation Provide: Quick drench
    • Exposure Limits: NIOSH REL : TWA 2 ppm (5 mg/m 3 ) ST 4 ppm (10 mg/m 3 ) [skin] OSHA PEL ?: TWA 2 ppm (5 mg/m 3 ) [skin]
  • miscellaneous
    • Appearance: colourless liquid with a mustard-like odour
    • Stability: Flammable. Note low flash point and wide explosive limits.Forms explosive mixtures with air. Incompatible with strong oxidizing agents,strong acids, oleum, diallyl phosphite, metal halides, sodium hyd roxide,tetrachloromethane, tri-N-bromoaniline, sodium, potassium, magnesium, aluminium.Polymerizes during prolonged storage.
    • Toxicity: ORL-RAT LD50 64 mg kg-1, IPR-RAT LD50 42 mg kg-1, ORL-RBT LD50 53 mg kg-1, IPR-MUS LD50 42 mg kg-1
    • Safety: Safety glasses, gloves, good ventilation.
(Details...) Names and Synonyms Creative Commons Attribution-ShareAlike 3.0 United States

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

107-18-6[RN]
1-Propen-3-ol
2-Propen-1-ol
2-Propenyl alcohol
3-Hydroxypropene
ALLYL ALCOHOL
Allylic alcohol
PROP-2-EN-1-OL
Vinyl carbinol
Vinylcarbinol
Weed drench
weed drench.
(Details...) Predicted Properties
LogP: ACD/LogP: 0.17
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 0.17 ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 29.44 ACD/KOC (pH 7.4): 29.44
#H bond acceptors: 1 #H bond donors: 1
#Freely Rotating Bonds: 2 Polar Surface Area: 20.23 Å2
Index of Refraction: 1.402 Molar Refractivity: 17.2 cm3
Molar Volume: 70.6 cm3 Polarizability: 6.82 10-24cm3
Surface Tension: 24.5 dyne/cm Density: 0.822 g/cm3
Flash Point: 22.2 °C Enthalpy of Vaporization: 39.45 kJ/mol
Boiling Point: 99 °C at 760 mmHg Vapour Pressure: 22.3 mmHg at 25°C