Crotyl alcohol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    6117-91-5

    Molecular formula
    C4H8O

    SMILES
    C/C=C/CO

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1193.0

  • Odor profile

    Fruity 82.79%
    Sweet 68.12%
    Ethereal 66.59%
    Pungent 57.18%
    Alcoholic 49.05%
    Sharp 48.71%
    Fermented 45.0%
    Rummy 38.52%
    Green 38.4%
    Winey 37.04%

    Scent© AI

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    8.19 (weak base)

    Molecular weight
    72.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    120°C

    Flash point est.
    36.96 ˚C

  • Synonyms

    • Crotyl alcohol
    • Crotonyl alcohol
    • 504-61-0
    • 2-Buten-1-ol
    • (E)-But-2-en-1-ol
    • 2-Buten-1-ol, (2E)-
    • 6117-91-5
    • 2-Butenol
    • 3-Methylallyl alcohol
    • 2-Butenyl alcohol
    • (2E)-but-2-en-1-ol
    • Krotylalkohol
    • 2-BUTENE-1-OL
    • 2-Buten-1-ol, (E)-
    • trans-Crotonyl Alcohol
    • trans-2-Buten-1-Ol
    • Crotyl alcohol, (E)-
    • NSC 17480
    • trans-Crotyl Alcohol
    • Crotyl Alcohol (cis/trans Mixture)
    • 1-Hydroxy-2-butene
    • L585TY5908
    • CH3CH=CHCH2OH
    • Propenylcarbinol
    • Krotylalkohol [Czech]
    • Crotyl alcohol (VAN)
    • Crotonyl alcohol (VAN)
    • 2-(E)-Buten-1-ol
    • EINECS 228-086-7
    • MFCD00002923
    • UNII-D7F26UNN0B
    • DTXSID2052283
    • BRN 1719374
    • AI3-14902
    • E-crotyl alcohol
    • UNII-L585TY5908
    • trans-2-Butenol
    • 9A7
    • (e)-crotyl alcohol
    • EINECS 207-996-8
    • trans-2-Butenyl alcohol
    • Trans-but-2-en-1-ol
    • D7F26UNN0B
    • 2-01-00-00480 (Beilstein Handbook Reference)
    • CHEMBL118459
    • DTXCID2030855
    • CHEBI:62891
    • 2-BUTEN-1-OL, TRANS-
    • DTXSID30883409
    • CHEBI:193942
    • Tox21_303907
    • BBL027414
    • STL372963
    • AKOS009157989
    • CROTYL ALCOHOL (E)-FORM [MI]
    • FC31880
    • NCGC00357159-01
    • CAS-6117-91-5
    • B0696
    • NS00093525
    • Q420212
    • Q63395546
    • Z431953396

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1202.93
    methanol 1374.13
    isopropanol 794.28
    water 14.16
    ethyl acetate 312.02
    n-propanol 874.6
    acetone 448.23
    n-butanol 835.44
    acetonitrile 340.55
    DMF 512.43
    toluene 34.86
    isobutanol 532.3
    1,4-dioxane 607.94
    methyl acetate 287.93
    THF 941.03
    2-butanone 312.54
    n-pentanol 387.63
    sec-butanol 592.1
    n-hexane 57.34
    ethylene glycol 296.55
    NMP 491.28
    cyclohexane 82.58
    DMSO 903.28
    n-butyl acetate 339.68
    n-octanol 162.29
    chloroform 387.29
    n-propyl acetate 181.54
    acetic acid 1291.61
    dichloromethane 290.0
    cyclohexanone 455.86
    propylene glycol 326.33
    isopropyl acetate 138.13
    DMAc 210.99
    2-ethoxyethanol 373.16
    isopentanol 455.43
    n-heptane 89.91
    ethyl formate 222.62
    1,2-dichloroethane 200.55
    n-hexanol 547.37
    2-methoxyethanol 762.48
    isobutyl acetate 96.66
    tetrachloromethane 121.01
    n-pentyl acetate 135.55
    transcutol 940.14
    n-heptanol 190.26
    ethylbenzene 20.66
    MIBK 118.64
    2-propoxyethanol 554.46
    tert-butanol 702.88
    MTBE 247.58
    2-butoxyethanol 276.66
    propionic acid 737.76
    o-xylene 30.5
    formic acid 512.39
    diethyl ether 319.29
    m-xylene 31.9
    p-xylene 30.65
    chlorobenzene 98.14
    dimethyl carbonate 49.12
    n-octane 22.96
    formamide 467.48
    cyclopentanone 531.66
    2-pentanone 270.19
    anisole 76.63
    cyclopentyl methyl ether 344.31
    gamma-butyrolactone 654.9
    1-methoxy-2-propanol 448.92
    pyridine 290.38
    3-pentanone 150.58
    furfural 421.64
    n-dodecane 14.37
    diethylene glycol 423.62
    diisopropyl ether 73.02
    tert-amyl alcohol 480.06
    acetylacetone 200.38
    n-hexadecane 15.24
    acetophenone 73.9
    methyl propionate 196.07
    isopentyl acetate 221.43
    trichloroethylene 359.94
    n-nonanol 133.59
    cyclohexanol 498.22
    benzyl alcohol 96.64
    2-ethylhexanol 267.72
    isooctanol 139.86
    dipropyl ether 270.7
    1,2-dichlorobenzene 81.32
    ethyl lactate 89.61
    propylene carbonate 281.52
    n-methylformamide 463.07
    2-pentanol 429.06
    n-pentane 74.86
    1-propoxy-2-propanol 443.87
    1-methoxy-2-propyl acetate 185.18
    2-(2-methoxypropoxy) propanol 182.58
    mesitylene 23.88
    ε-caprolactone 385.96
    p-cymene 40.52
    epichlorohydrin 436.39
    1,1,1-trichloroethane 195.59
    2-aminoethanol 555.2
    morpholine-4-carbaldehyde 418.93
    sulfolane 627.09
    2,2,4-trimethylpentane 28.18
    2-methyltetrahydrofuran 708.44
    n-hexyl acetate 174.69
    isooctane 23.2
    2-(2-butoxyethoxy)ethanol 308.72
    sec-butyl acetate 93.19
    tert-butyl acetate 137.08
    decalin 21.83
    glycerin 382.75
    diglyme 437.49
    acrylic acid 555.17
    isopropyl myristate 68.86
    n-butyric acid 791.74
    acetyl acetate 138.07
    di(2-ethylhexyl) phthalate 67.86
    ethyl propionate 119.97
    nitromethane 815.86
    1,2-diethoxyethane 285.6
    benzonitrile 131.49
    trioctyl phosphate 60.03
    1-bromopropane 175.87
    gamma-valerolactone 549.59
    n-decanol 97.8
    triethyl phosphate 63.14
    4-methyl-2-pentanol 163.24
    propionitrile 287.88
    vinylene carbonate 232.59
    1,1,2-trichlorotrifluoroethane 377.57
    DMS 84.8
    cumene 21.46
    2-octanol 111.14
    2-hexanone 187.51
    octyl acetate 96.24
    limonene 87.03
    1,2-dimethoxyethane 387.02
    ethyl orthosilicate 69.17
    tributyl phosphate 71.62
    diacetone alcohol 219.75
    N,N-dimethylaniline 49.38
    acrylonitrile 283.71
    aniline 146.03
    1,3-propanediol 694.98
    bromobenzene 67.47
    dibromomethane 222.18
    1,1,2,2-tetrachloroethane 288.55
    2-methyl-cyclohexyl acetate 123.99
    tetrabutyl urea 85.96
    diisobutyl methanol 116.9
    2-phenylethanol 138.12
    styrene 28.98
    dioctyl adipate 98.51
    dimethyl sulfate 86.71
    ethyl butyrate 201.22
    methyl lactate 121.67
    butyl lactate 124.57
    diethyl carbonate 97.66
    propanediol butyl ether 231.17
    triethyl orthoformate 127.75
    p-tert-butyltoluene 38.99
    methyl 4-tert-butylbenzoate 96.63
    morpholine 791.76
    tert-butylamine 422.24
    n-dodecanol 75.16
    dimethoxymethane 222.91
    ethylene carbonate 196.77
    cyrene 140.28
    2-ethoxyethyl acetate 144.66
    2-ethylhexyl acetate 166.49
    1,2,4-trichlorobenzene 94.55
    4-methylpyridine 195.19
    dibutyl ether 163.87
    2,6-dimethyl-4-heptanol 116.9
    DEF 274.03
    dimethyl isosorbide 270.8
    tetrachloroethylene 245.94
    eugenol 119.78
    triacetin 127.63
    span 80 225.58
    1,4-butanediol 230.35
    1,1-dichloroethane 213.3
    2-methyl-1-pentanol 245.82
    methyl formate 241.57
    2-methyl-1-butanol 457.88
    n-decane 25.86
    butyronitrile 350.09
    3,7-dimethyl-1-octanol 139.27
    1-chlorooctane 76.12
    1-chlorotetradecane 29.48
    n-nonane 27.18
    undecane 18.58
    tert-butylcyclohexane 24.79
    cyclooctane 21.7
    cyclopentanol 636.05
    tetrahydropyran 681.94
    tert-amyl methyl ether 172.69
    2,5,8-trioxanonane 309.97
    1-hexene 143.18
    2-isopropoxyethanol 216.02
    2,2,2-trifluoroethanol 307.91
    methyl butyrate 184.97

    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
Mango (India) 1b cv. Bombay 90063-86-8 Mangifera indica L. cv. Bombay, fam. Anacardiaceae 0.1%