Allyl alcohol

Allyl alcohol (IUPAC name: prop-2-en-1-ol) is an organic compound with the structural formula CH2=CHCH2OH. Like many alcohols, it is a water-soluble, colourless liquid. It is more toxic than typical small alcohols. Allyl alcohol is used as a precursor to many specialized compounds such as flame-resistant materials, drying oils, and plasticizers. Allyl alcohol is the smallest representative of the allylic alcohols.

Allyl alcohol
Names
Preferred IUPAC name
Prop-2-en-1-ol
Other names
Allyl alcohol
2-Propen-1-ol
1-Propen-3-ol
Vinyl carbinol
Allylic alcohol
Weed drench
Identifiers
3D model (JSmol)
3DMet
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.003.156
EC Number
  • 203-470-7
KEGG
PubChem CID
RTECS number
  • BA5075000
UNII
UN number 1098
  • InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2 Y
    Key: XXROGKLTLUQVRX-UHFFFAOYSA-N Y
  • InChI=1/C3H6O/c1-2-3-4/h2,4H,1,3H2
    Key: XXROGKLTLUQVRX-UHFFFAOYAC
SMILES
  • C=CCO
Properties
C3H6O
Molar mass 58.080 g·mol−1
Appearance colorless liquid
Odor mustard-like
Density 0.854 g/ml
Melting point 129 °C
Boiling point 97 °C (207 °F; 370 K)
Miscible
Vapor pressure 17 mmHg
Acidity (pKa) 15.5 (H2O)
Magnetic susceptibility (χ)
-36.70·10−6 cm3/mol
Hazards
Occupational safety and health (OHS/OSH):
Main hazards
Highly toxic, lachrymator
GHS labelling:
Danger
H225, H301, H302, H311, H315, H319, H331, H335, H400
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P370+P378, P391, P403+P233, P403+P235, P405, P501
NFPA 704 (fire diamond)
3
3
1
Flash point 21 °C (70 °F; 294 K)
378 °C (712 °F; 651 K)
Explosive limits 2.5–18.0%
Lethal dose or concentration (LD, LC):
LD50 (median dose)
80 mg/kg (rat, orally)
LC50 (median concentration)
1000 ppm (mammal, 1 hr)
76 ppm (rat, 8 hr)
207 ppm (mouse, 2 hr)
1000 ppm (rabbit, 3.5 hr)
1000 ppm (monkey, 4 hr)
1060 ppm (rat, 1 hr)
165 ppm (rat, 4 hr)
76 ppm (rat, 8 hr)
NIOSH (US health exposure limits):
PEL (Permissible)
2 ppm
REL (Recommended)
TWA 2 ppm (5 mg/m3) ST 4 ppm (10 mg/m3) [skin]
IDLH (Immediate danger)
20 ppm
Safety data sheet (SDS) External MSDS
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references
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