Allyl alcohol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    107-18-6

    Molecular formula
    C3H6O

    SMILES
    C=CCO

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Pungent 61.38%
    Sharp 50.83%
    Ethereal 49.72%
    Alliaceous 42.33%
    Fermented 35.56%
    Alcoholic 33.52%
    Fruity 29.9%
    Gassy 29.24%
    Odorless 28.97%
    Burnt 23.96%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 1.4 [mmHg]. Odor Threshold High: 2.1 [mmHg]. Detection odor threshold from AIHA (mean = 1.7 ppm)
    • 1.70x10(-2) mg/L (odor detection of the gas in water, chemically pure)
    • 0.78 ppm
    • Odor thresholds 1.9500 mg/cu m (low) 5.0000 mg/cu m (high).

  • Properties

    XLogP3-AA
    0.2

    Molecular weight
    58.08 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -200 °F (EPA, 1998)
    • -129 °C
    • -200 °F

    Boiling point

    • 206 °F at 760 mmHg (EPA, 1998)
    • 96.9 °C
    • Azeotropic boiling point of 72.3% allyl alcohol and 27.7% water: 88.89 °C
    • 97.00 to 98.00 °C. @ 760.00 mm Hg
    • 97 °C
    • 205 °F

    Flash point est.
    20.16 ˚C

    Flash point expt.

    • 71.6 °F (EPA, 1998)
    • 22 °C
    • 70 °F (21 °C) (closed cup)
    • 90 °F (open cup)
    • 70 °F (open cup); 75 °F (closed cup)
    • 21 °C c.c.
    • 70 °F

    Solubility expt.

    • Miscible (NIOSH, 2024)
    • Infinitely soluble in water at 20 °C
    • Miscible with alcohol, chloroform, ether, petroleum ether
    • 1000 mg/mL at 20 °C
    • Solubility in water, g/l at 20 °C: >1000 (very soluble)
    • Miscible

  • Synonyms

    • ALLYL ALCOHOL
    • 2-Propen-1-ol
    • 107-18-6
    • PROP-2-EN-1-OL
    • Vinylcarbinol
    • 2-Propenyl alcohol
    • 3-Hydroxypropene
    • 2-Propenol
    • 1-Propen-3-ol
    • Allylic alcohol
    • Vinyl carbinol
    • Weed drench
    • Propenyl alcohol
    • Allylalkohol
    • 1-Propenol-3
    • Alcool allylique
    • Allilowy alkohol
    • Propen-1-ol-3
    • Shell unkrautted A
    • Alcool allilco
    • Shell Unkrauttod A
    • RCRA waste number P005
    • Caswell No. 026
    • Allyl al
    • 2-Propene-1-ol
    • NSC 6526
    • 1-hydroxy-2-propene
    • 3-Hydroxy-1-propene
    • CCRIS 747
    • Orvinylcarbinol
    • HSDB 192
    • EINECS 203-470-7
    • EPA Pesticide Chemical Code 068401
    • DTXSID8020044
    • UNII-3W678R12M0
    • CHEBI:16605
    • AI3-14312
    • NSC-6526
    • MFCD00002920
    • 3W678R12M0
    • DTXCID2044
    • EC 203-470-7
    • Allyl alcohol, >=98.5%
    • Allylalkohol [German]
    • Alcool allilco [Italian]
    • Alcool allylique [French]
    • Allilowy alkohol [Polish]
    • CAS-107-18-6
    • 2-Propen-1,1,2,3,3-d5-1-ol
    • UN1098
    • RCRA waste no. P005
    • allylalcohol
    • Aaalcool allilco
    • AllOH
    • Propenol-3
    • 2-propen-1ol
    • 1-propene-3-ol
    • 1-Propenol-3-ol
    • prop-2-en-I-ol
    • ALLYL-ALCOHOL
    • 2-VINYLCARBINOL
    • 3-HYDROXY PROPENE
    • CH2=CHCH2OH
    • Allyl alcohol, >=99%
    • ALLYL ALCOHOL [MI]
    • ALLYL ALCOHOL [HSDB]
    • WLN: Q2U1
    • CHEMBL234926
    • NSC6526
    • Allyl alcohol, analytical standard
    • BCP26846
    • CEA91030
    • Tox21_200200
    • Tox21_303507
    • STL185566
    • AKOS000118796
    • Allyl alcohol [UN1098] [Poison]
    • UN 1098
    • USEPA/OPP Pesticide Code: 068401
    • NCGC00091428-01
    • NCGC00091428-02
    • NCGC00091428-03
    • NCGC00257474-01
    • NCGC00257754-01
    • Allyl Alcohol 500 microg/mL in Methanol
    • BP-21152
    • A0218
    • NS00006853
    • EN300-19483
    • A15097
    • C02001
    • InChI=1/C3H6O/c1-2-3-4/h2,4H,1,3H
    • Q414553
    • F0001-0139
    • Z104473976
    • 203-470-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 267.67
    methanol 388.28
    isopropanol 131.25
    water 68.2
    ethyl acetate 36.07
    n-propanol 184.38
    acetone 58.4
    n-butanol 174.5
    acetonitrile 59.93
    DMF 149.37
    toluene 4.68
    isobutanol 103.21
    1,4-dioxane 54.86
    methyl acetate 45.05
    THF 99.2
    2-butanone 46.79
    n-pentanol 88.65
    sec-butanol 106.99
    n-hexane 5.17
    ethylene glycol 156.03
    NMP 104.68
    cyclohexane 5.58
    DMSO 172.28
    n-butyl acetate 44.58
    n-octanol 30.54
    chloroform 41.33
    n-propyl acetate 31.56
    acetic acid 397.53
    dichloromethane 36.73
    cyclohexanone 60.91
    propylene glycol 135.95
    isopropyl acetate 19.21
    DMAc 95.51
    2-ethoxyethanol 122.12
    isopentanol 107.92
    n-heptane 8.37
    ethyl formate 60.01
    1,2-dichloroethane 23.69
    n-hexanol 86.85
    2-methoxyethanol 258.01
    isobutyl acetate 18.34
    tetrachloromethane 15.72
    n-pentyl acetate 23.9
    transcutol 216.82
    n-heptanol 43.69
    ethylbenzene 3.63
    MIBK 22.73
    2-propoxyethanol 121.12
    tert-butanol 111.73
    MTBE 28.49
    2-butoxyethanol 81.24
    propionic acid 188.38
    o-xylene 5.88
    formic acid 289.14
    diethyl ether 29.61
    m-xylene 5.06
    p-xylene 5.69
    chlorobenzene 9.92
    dimethyl carbonate 14.72
    n-octane 2.61
    formamide 231.02
    cyclopentanone 79.98
    2-pentanone 38.12
    anisole 13.73
    cyclopentyl methyl ether 37.94
    gamma-butyrolactone 103.73
    1-methoxy-2-propanol 132.31
    pyridine 45.55
    3-pentanone 23.64
    furfural 100.46
    n-dodecane 1.74
    diethylene glycol 144.13
    diisopropyl ether 8.4
    tert-amyl alcohol 90.7
    acetylacetone 30.85
    n-hexadecane 1.69
    acetophenone 18.93
    methyl propionate 35.35
    isopentyl acetate 33.11
    trichloroethylene 44.27
    n-nonanol 25.42
    cyclohexanol 75.73
    benzyl alcohol 30.53
    2-ethylhexanol 45.87
    isooctanol 32.59
    dipropyl ether 29.42
    1,2-dichlorobenzene 9.98
    ethyl lactate 29.92
    propylene carbonate 49.81
    n-methylformamide 156.3
    2-pentanol 74.58
    n-pentane 6.48
    1-propoxy-2-propanol 93.13
    1-methoxy-2-propyl acetate 33.27
    2-(2-methoxypropoxy) propanol 51.15
    mesitylene 4.07
    ε-caprolactone 60.65
    p-cymene 6.94
    epichlorohydrin 66.84
    1,1,1-trichloroethane 16.67
    2-aminoethanol 226.03
    morpholine-4-carbaldehyde 100.71
    sulfolane 97.01
    2,2,4-trimethylpentane 4.37
    2-methyltetrahydrofuran 66.01
    n-hexyl acetate 27.27
    isooctane 2.88
    2-(2-butoxyethoxy)ethanol 82.71
    sec-butyl acetate 16.06
    tert-butyl acetate 21.11
    decalin 2.56
    glycerin 203.57
    diglyme 115.94
    acrylic acid 173.13
    isopropyl myristate 10.09
    n-butyric acid 189.64
    acetyl acetate 23.35
    di(2-ethylhexyl) phthalate 15.07
    ethyl propionate 20.17
    nitromethane 193.56
    1,2-diethoxyethane 37.22
    benzonitrile 23.53
    trioctyl phosphate 13.28
    1-bromopropane 15.51
    gamma-valerolactone 100.46
    n-decanol 18.19
    triethyl phosphate 16.4
    4-methyl-2-pentanol 36.71
    propionitrile 48.15
    vinylene carbonate 44.4
    1,1,2-trichlorotrifluoroethane 116.75
    DMS 15.94
    cumene 4.64
    2-octanol 22.58
    2-hexanone 31.2
    octyl acetate 15.28
    limonene 12.25
    1,2-dimethoxyethane 84.73
    ethyl orthosilicate 17.39
    tributyl phosphate 15.23
    diacetone alcohol 55.09
    N,N-dimethylaniline 13.37
    acrylonitrile 68.36
    aniline 27.89
    1,3-propanediol 257.63
    bromobenzene 6.17
    dibromomethane 25.13
    1,1,2,2-tetrachloroethane 35.93
    2-methyl-cyclohexyl acetate 24.05
    tetrabutyl urea 19.33
    diisobutyl methanol 21.44
    2-phenylethanol 29.8
    styrene 4.72
    dioctyl adipate 18.5
    dimethyl sulfate 23.33
    ethyl butyrate 33.35
    methyl lactate 45.59
    butyl lactate 34.15
    diethyl carbonate 19.15
    propanediol butyl ether 76.61
    triethyl orthoformate 23.73
    p-tert-butyltoluene 6.7
    methyl 4-tert-butylbenzoate 25.39
    morpholine 103.06
    tert-butylamine 59.15
    n-dodecanol 13.26
    dimethoxymethane 47.77
    ethylene carbonate 34.18
    cyrene 45.3
    2-ethoxyethyl acetate 28.84
    2-ethylhexyl acetate 24.42
    1,2,4-trichlorobenzene 12.62
    4-methylpyridine 30.32
    dibutyl ether 18.52
    2,6-dimethyl-4-heptanol 21.44
    DEF 59.11
    dimethyl isosorbide 57.77
    tetrachloroethylene 40.8
    eugenol 35.15
    triacetin 28.07
    span 80 53.38
    1,4-butanediol 96.93
    1,1-dichloroethane 18.8
    2-methyl-1-pentanol 66.94
    methyl formate 80.81
    2-methyl-1-butanol 108.99
    n-decane 2.69
    butyronitrile 57.32
    3,7-dimethyl-1-octanol 26.67
    1-chlorooctane 7.53
    1-chlorotetradecane 3.19
    n-nonane 2.71
    undecane 2.04
    tert-butylcyclohexane 3.07
    cyclooctane 2.31
    cyclopentanol 95.17
    tetrahydropyran 49.94
    tert-amyl methyl ether 25.97
    2,5,8-trioxanonane 81.99
    1-hexene 13.69
    2-isopropoxyethanol 70.5
    2,2,2-trifluoroethanol 120.16
    methyl butyrate 36.11

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Rose (Turkey) 4 8007-01-7 Rosa damascena Mill., fam. Rosaceae 0.01%
Rose (Turkey) 5 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.01%