Sorbic alcohol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    111-28-4

    Molecular formula
    C6H10O

    SMILES
    C/C=C/C=C/CO

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Green 88.84%
    Fruity 82.6%
    Sweet 67.34%
    Fresh 58.31%
    Vegetable 58.3%
    Herbal 55.22%
    Fatty 52.02%
    Nutty 44.94%
    Tropical 44.43%
    Spicy 44.4%

    Scent© AI

  • Properties

    XLogP3-AA
    1.1

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    175°C

    Flash point est.
    74.86 ˚C

    Solubility expt.

    • Insoluble in water; Soluble in fat
    • soluble (in ethanol)

  • Synonyms

    • trans,trans-2,4-Hexadien-1-ol
    • 2,4-HEXADIEN-1-OL
    • 17102-64-6
    • Sorbic alcohol
    • (2E,4E)-hexa-2,4-dien-1-ol
    • Sorbyl alcohol
    • 111-28-4
    • Hexacose
    • (E,E)-2,4-Hexadien-1-ol
    • Hexakose
    • Sorbinic alcohol
    • 2,4-Hexadienol
    • Hexadenol
    • Hexene-ol
    • 1-Hydroxy-2,4-hexadiene
    • 1-Hydroxy-2,4-hexadien
    • (E,E)-Hexa-2,4-dien-1-ol
    • 2,4-Hexadien-1-ol, (E,E)-
    • 2,4-Hexadien-1-ol, (2E,4E)-
    • (2E,4E)-2,4-Hexadien-1-ol
    • EINECS 203-853-9
    • 11CF2E3HNG
    • DTXSID3047631
    • AI3-30249
    • trans-2,4-Hexadienol
    • 2,4-Hexadiene-1-ol
    • EINECS 241-173-4
    • MFCD00002925
    • n-Hexa-2,4-dien-1-ol
    • SORBIC ALCOHOL [MI]
    • (2E,4E)-2,4-hexadienol
    • DTXCID1027631
    • FEMA NO. 3922
    • CHEBI:142625
    • 2,4-HEXADIEN-1-OL [FHFI]
    • UNII-11CF2E3HNG
    • DTXSID8047632
    • Sorbinalkohol
    • Hexeneol
    • 2,4Hexadienol
    • 2,4Hexadien1ol
    • 1Hydroxy2,4hexadiene
    • trans,trans-2,4-hexadien-ol
    • CHEMBL3187813
    • DTXCID6027632
    • (e, e)-hexa-2,4-dien-1-ol
    • Trans,trans-hexa-2,4-dien-1-ol
    • Tox21_302548
    • AKOS015901029
    • CS-W018413
    • FH02735
    • HY-W017690
    • trans,trans-2,4-Hexadien-1-ol, 97%
    • NCGC00256628-01
    • FH172785
    • CAS-17102-64-6
    • H0478
    • NS00012533
    • D77844
    • EN300-170512
    • EN300-342426
    • Q27251317
    • trans,trans-2,4-Hexadien-1-ol, >=97%, stabilized, FG
    • trans,trans-2,4-Hexadien-1-ol - stabilized with ?-tocopherol
    • 241-173-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1978.09
    methanol 1138.89
    isopropanol 1613.51
    water 1.93
    ethyl acetate 563.43
    n-propanol 1479.23
    acetone 1027.26
    n-butanol 1383.34
    acetonitrile 704.02
    DMF 1154.38
    toluene 123.48
    isobutanol 944.65
    1,4-dioxane 924.9
    methyl acetate 538.48
    THF 1624.89
    2-butanone 664.89
    n-pentanol 573.59
    sec-butanol 1039.35
    n-hexane 118.06
    ethylene glycol 357.87
    NMP 717.44
    cyclohexane 179.9
    DMSO 2141.58
    n-butyl acetate 573.0
    n-octanol 244.64
    chloroform 1107.67
    n-propyl acetate 311.13
    acetic acid 1025.88
    dichloromethane 1215.97
    cyclohexanone 871.25
    propylene glycol 515.62
    isopropyl acetate 235.17
    DMAc 409.0
    2-ethoxyethanol 499.38
    isopentanol 754.16
    n-heptane 203.26
    ethyl formate 445.99
    1,2-dichloroethane 663.33
    n-hexanol 868.77
    2-methoxyethanol 1186.08
    isobutyl acetate 161.65
    tetrachloromethane 222.21
    n-pentyl acetate 194.44
    transcutol 1041.91
    n-heptanol 272.12
    ethylbenzene 67.33
    MIBK 237.09
    2-propoxyethanol 787.7
    tert-butanol 1176.65
    MTBE 479.84
    2-butoxyethanol 348.7
    propionic acid 834.46
    o-xylene 81.99
    formic acid 207.44
    diethyl ether 634.54
    m-xylene 93.39
    p-xylene 82.86
    chlorobenzene 215.89
    dimethyl carbonate 123.11
    n-octane 41.69
    formamide 306.19
    cyclopentanone 1046.81
    2-pentanone 590.48
    anisole 168.7
    cyclopentyl methyl ether 598.35
    gamma-butyrolactone 1059.99
    1-methoxy-2-propanol 847.23
    pyridine 566.68
    3-pentanone 317.28
    furfural 607.6
    n-dodecane 29.48
    diethylene glycol 548.73
    diisopropyl ether 129.65
    tert-amyl alcohol 680.71
    acetylacetone 376.16
    n-hexadecane 31.42
    acetophenone 152.68
    methyl propionate 422.41
    isopentyl acetate 360.01
    trichloroethylene 959.33
    n-nonanol 190.42
    cyclohexanol 771.32
    benzyl alcohol 168.89
    2-ethylhexanol 396.73
    isooctanol 186.5
    dipropyl ether 540.7
    1,2-dichlorobenzene 173.01
    ethyl lactate 142.81
    propylene carbonate 457.97
    n-methylformamide 672.27
    2-pentanol 751.67
    n-pentane 175.61
    1-propoxy-2-propanol 634.32
    1-methoxy-2-propyl acetate 298.9
    2-(2-methoxypropoxy) propanol 241.71
    mesitylene 63.49
    ε-caprolactone 578.52
    p-cymene 91.32
    epichlorohydrin 1004.98
    1,1,1-trichloroethane 535.02
    2-aminoethanol 684.36
    morpholine-4-carbaldehyde 645.03
    sulfolane 1177.6
    2,2,4-trimethylpentane 49.05
    2-methyltetrahydrofuran 1149.27
    n-hexyl acetate 269.57
    isooctane 47.13
    2-(2-butoxyethoxy)ethanol 369.05
    sec-butyl acetate 149.71
    tert-butyl acetate 215.88
    decalin 46.73
    glycerin 484.06
    diglyme 621.84
    acrylic acid 518.78
    isopropyl myristate 112.1
    n-butyric acid 1136.34
    acetyl acetate 207.95
    di(2-ethylhexyl) phthalate 99.19
    ethyl propionate 223.42
    nitromethane 1004.03
    1,2-diethoxyethane 371.52
    benzonitrile 237.4
    trioctyl phosphate 99.58
    1-bromopropane 613.73
    gamma-valerolactone 911.6
    n-decanol 147.34
    triethyl phosphate 111.49
    4-methyl-2-pentanol 244.43
    propionitrile 575.22
    vinylene carbonate 358.76
    1,1,2-trichlorotrifluoroethane 557.33
    DMS 148.89
    cumene 54.57
    2-octanol 161.0
    2-hexanone 338.69
    octyl acetate 142.89
    limonene 192.55
    1,2-dimethoxyethane 664.72
    ethyl orthosilicate 113.31
    tributyl phosphate 107.86
    diacetone alcohol 340.56
    N,N-dimethylaniline 111.91
    acrylonitrile 565.56
    aniline 260.68
    1,3-propanediol 934.77
    bromobenzene 200.62
    dibromomethane 896.72
    1,1,2,2-tetrachloroethane 690.89
    2-methyl-cyclohexyl acetate 189.5
    tetrabutyl urea 155.18
    diisobutyl methanol 192.07
    2-phenylethanol 212.31
    styrene 93.27
    dioctyl adipate 160.23
    dimethyl sulfate 207.39
    ethyl butyrate 363.64
    methyl lactate 203.04
    butyl lactate 176.24
    diethyl carbonate 182.23
    propanediol butyl ether 335.95
    triethyl orthoformate 208.88
    p-tert-butyltoluene 88.67
    methyl 4-tert-butylbenzoate 168.59
    morpholine 1279.21
    tert-butylamine 754.76
    n-dodecanol 118.27
    dimethoxymethane 542.38
    ethylene carbonate 313.89
    cyrene 202.57
    2-ethoxyethyl acetate 205.1
    2-ethylhexyl acetate 263.21
    1,2,4-trichlorobenzene 196.53
    4-methylpyridine 433.77
    dibutyl ether 265.77
    2,6-dimethyl-4-heptanol 192.07
    DEF 526.3
    dimethyl isosorbide 355.66
    tetrachloroethylene 450.05
    eugenol 181.94
    triacetin 189.43
    span 80 299.83
    1,4-butanediol 288.35
    1,1-dichloroethane 762.71
    2-methyl-1-pentanol 333.9
    methyl formate 405.15
    2-methyl-1-butanol 711.19
    n-decane 46.2
    butyronitrile 743.75
    3,7-dimethyl-1-octanol 202.56
    1-chlorooctane 144.85
    1-chlorotetradecane 59.88
    n-nonane 51.16
    undecane 35.53
    tert-butylcyclohexane 49.13
    cyclooctane 50.35
    cyclopentanol 1083.55
    tetrahydropyran 1236.74
    tert-amyl methyl ether 293.52
    2,5,8-trioxanonane 418.64
    1-hexene 320.29
    2-isopropoxyethanol 303.08
    2,2,2-trifluoroethanol 198.8
    methyl butyrate 354.54

    Scent© AI

1 4

IFRA standard 51

Recommendation
Prohibition
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0 %
Category 2
Products applied to the axillae
 0 % Category 7B
Leave-on products applied to the hair with some hand contact
 0 %
Category 3
Products applied to the face/body using fingertips
 0 % Category 8
Products with significant anogenital exposure
 0 %
Category 4
Products related to fine fragrance
 0 % Category 9
Products with body and hand exposure, primarily rinse off
 0 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0 % Category 10A
Household care products with mostly hand contact
 0 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0 %
Category 5D
Baby Creams, baby Oils and baby talc
 0 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0 %
Category 6
Products with oral and lip exposure
 0 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0 %

Prohibition
2,4-Hexadien-1-ol should not be used as a fragrance ingredient.

Botanical

Name CAS Botanical Proportion
Artemisia speciosa (China) Artemisia speciosa (Pamp.) Ling et Y.R. Ling, fam. Asteraceae (Compositae) 0.16%