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Allyl alcohol information


Allyl alcohol
Skeletal formula
Ball-and-stick model
Names
Preferred IUPAC name
Prop-2-en-1-ol
Other names
Allyl alcohol
2-Propen-1-ol
1-Propen-3-ol[1]
Vinyl carbinol[1]
Allylic alcohol
Weed drench[citation needed]
Identifiers
CAS Number
  • 107-18-6 checkY
3D model (JSmol)
  • Interactive image
3DMet
  • B00381
ChEBI
  • CHEBI:16605 checkY
ChEMBL
  • ChEMBL234926 checkY
ChemSpider
  • 13872989 checkY
ECHA InfoCard 100.003.156 Edit this at Wikidata
EC Number
  • 203-470-7
KEGG
  • C02001 checkY
PubChem CID
  • 7858
RTECS number
  • BA5075000
UNII
  • 3W678R12M0 ☒N
UN number 1098
CompTox Dashboard (EPA)
  • DTXSID8020044 Edit this at Wikidata
InChI
  • InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2 checkY
    Key: XXROGKLTLUQVRX-UHFFFAOYSA-N checkY
  • InChI=1/C3H6O/c1-2-3-4/h2,4H,1,3H2
    Key: XXROGKLTLUQVRX-UHFFFAOYAC
SMILES
  • C=CCO
Properties
Chemical formula
 C3H6O
Molar mass 58.080 g·mol−1
Appearance colorless liquid[1]
Odor mustard-like[1]
Density 0.854 g/ml
Melting point −129 °C
Boiling point 97 °C (207 °F; 370 K)
Solubility in water
 Miscible
Vapor pressure 17 mmHg[1]
Acidity (pKa) 15.5 (H2O)[2]
Magnetic susceptibility (χ)
 -36.70·10−6 cm3/mol
Hazards
Occupational safety and health (OHS/OSH):
Main hazards
 Highly toxic, lachrymator
GHS labelling:
Pictograms
 GHS02: FlammableGHS06: ToxicGHS07: Exclamation markGHS09: Environmental hazard
Signal word
 Danger
Hazard statements
 H225, H301, H302, H311, H315, H319, H331, H335, H400
Precautionary statements
 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)
NFPA 704 four-colored diamondHealth 3: Short exposure could cause serious temporary or residual injury. E.g. chlorine gasFlammability 3: Liquids and solids that can be ignited under almost all ambient temperature conditions. Flash point between 23 and 38 °C (73 and 100 °F). E.g. gasolineInstability 1: Normally stable, but can become unstable at elevated temperatures and pressures. E.g. calciumSpecial hazards (white): no code
3
3
1
Flash point 21 °C (70 °F; 294 K)
Autoignition
temperature
 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)[3]
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)[4]
NIOSH (US health exposure limits):
PEL (Permissible)
 2 ppm[1]
REL (Recommended)
 TWA 2 ppm (5 mg/m3) ST 4 ppm (10 mg/m3) [skin] [1]
IDLH (Immediate danger)
 20 ppm[1]
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).
☒N verify (what is checkY☒N ?)
Infobox references

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.[5] Allyl alcohol is the smallest representative of the allylic alcohols.

  1. ^ a b c d e f g h NIOSH Pocket Guide to Chemical Hazards. "#0017". National Institute for Occupational Safety and Health (NIOSH).
  2. ^ Haynes, William M., ed. (2016). CRC Handbook of Chemistry and Physics (97th ed.). CRC Press. p. 5–88. ISBN 978-1498754286.
  3. ^ Allyl alcohol toxicity
  4. ^ "Allyl alcohol". Immediately Dangerous to Life or Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).
  5. ^ Ludger Krähling; Jürgen Krey; Gerald Jakobson; Johann Grolig; Leopold Miksche (2002). "Allyl Compounds". Ullmann's Encyclopedia of Industrial Chemistry. Weinheim: Wiley-VCH. doi:10.1002/14356007.a01_425. ISBN 978-3527306732.

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Allyl alcohol

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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,...

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Allyl bromide

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of propene. Allyl bromide can be also produced by reacting allyl alcohol and pure bromine. Br2+ CH2=CHCH2OH → CH2=CHCH2Br + HBr + H2O Allyl bromide is...

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Allyl chloride

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majority of allyl chloride is converted to epichlorohydrin. Other commercially significant derivatives include allyl alcohol, allylamine, allyl isothiocyanate...

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Allyl group

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ClCH2CH=CH2 + HCl}}} It is the precursor to allyl alcohol and epichlorohydrin. Allylation is the attachment of an allyl group to a substrate, usually another...

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Allyl glycidyl ether

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polymerization reactions. It is formally the condensation product of allyl alcohol and glycidol via an ether linkage. Because it contains both an alkene...

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Azeotrope tables

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Vinyl alcohol

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Allyl acetate

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Allyl acetate is an organic compound with formula C3H5OC(O)CH3. This colourless liquid is a precursor to especially allyl alcohol, which is a useful industrial...

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Propargyl alcohol

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an sp carbon, propargyl alcohol is significantly more acidic (pKa = 13.6) compared to its sp2-containing analog allyl alcohol (pKa = 15.5), which is in...

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Allylic rearrangement

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benzaldehyde is activated by diboronic acid prior to reaction with the allyl alcohol (see: Prins reaction): The active catalyst system in this reaction is...

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Allyl iodide

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Erythritol

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organic compound, the naturally occurring achiral meso four-carbon sugar alcohol (or polyol). It is the reduced form of either D- or L-erythrose and one...

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Stearyl alcohol

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Crotyl alcohol

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Allyl alcohol Crotonaldehyde Crotonic acid Merck Index, 11th Edition, 2604 Falbe, Jürgen; Bahrmann, Helmut; Lipps, Wolfgang; Mayer, Dieter. "Alcohols...

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Diallyl carbonate

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chloroform. Diallyl carbonate reacts with amines, alcohols, and thiols. DAC is also used as an acrylate agent. Allyl carbonates are widely used in Tsuji-Trost...

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Amyl alcohol

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Amyl alcohols are alcohols with the formula C5H11OH. Eight are known. A mixture of amyl alcohols (also called amyl alcohol) can be obtained from fusel...

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Phenethyl alcohol

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Phenethyl alcohol, or 2-phenylethanol, is an organic compound with the chemical formula C6H5CH2CH2OH. It is a colourless liquid with a pleasant floral...

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C3H6O

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to: Chemistry portal Alcohols Allyl alcohol or 2-propen-1-ol, CH2=CH-CH2OH, CAS number 107-18-6 cyclopropanol or cyclopropyl alcohol, cyclo (-CH2-CH2-HOHC-)...

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