5-Hexen-1-ol

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  • Identifiers

    CAS number
    821-41-0

    Molecular formula
    C6H12O

    SMILES
    C=CCCCCO

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

  • Odor profile

    Green 86.8%
    Fruity 60.68%
    Fatty 58.97%
    Earthy 51.02%
    Vegetable 50.85%
    Fresh 48.04%
    Mushroom 46.94%
    Herbal 43.67%
    Cheesy 40.64%
    Oily 39.47%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    100.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    159°C

    Flash point est.
    59.09 ˚C

    Solubility expt.

    • Soluble in water and most fixed oils
    • Soluble (in ethanol)

  • Synonyms

    • 5-Hexen-1-ol
    • 821-41-0
    • Hex-5-en-1-ol
    • 1-Hexen-6-ol
    • 5-Hexenol
    • UNII-57PD1RF6G7
    • MFCD00002981
    • 57PD1RF6G7
    • 6-hydroxy-1-hexene
    • 5-Hexene-1-ol
    • EINECS 212-477-4
    • 5-HEXENOL [FHFI]
    • 1-HEXENE-6-OL
    • AI3-34797
    • DTXSID2074950
    • FEMA NO. 4351
    • 5-Hexen-1-ol, 98%
    • 5Hexenol
    • 5-hexanol
    • Hex5en1ol
    • hex-1-en-6-ol
    • SCHEMBL41920
    • HO(CH2)4CH=CH2
    • DTXCID0048266
    • BCP03575
    • BBL102594
    • STL556397
    • 1-Hexen-6-ol; 6-Hydroxy-1-hexene
    • AKOS009156957
    • CS-W013711
    • HY-W012995
    • BP-31163
    • MS-20464
    • SY020861
    • H0653
    • NS00022817
    • EN300-98901
    • Q27261513

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1437.65
    methanol 1193.94
    isopropanol 1050.81
    water 2.76
    ethyl acetate 308.2
    n-propanol 1070.75
    acetone 534.57
    n-butanol 1078.02
    acetonitrile 318.03
    DMF 603.45
    toluene 57.17
    isobutanol 685.06
    1,4-dioxane 614.93
    methyl acetate 249.72
    THF 1192.99
    2-butanone 331.95
    n-pentanol 503.66
    sec-butanol 701.1
    n-hexane 81.17
    ethylene glycol 301.72
    NMP 440.09
    cyclohexane 116.22
    DMSO 1215.55
    n-butyl acetate 456.34
    n-octanol 219.83
    chloroform 498.34
    n-propyl acetate 224.68
    acetic acid 876.29
    dichloromethane 508.42
    cyclohexanone 604.98
    propylene glycol 389.71
    isopropyl acetate 161.05
    DMAc 226.46
    2-ethoxyethanol 437.78
    isopentanol 636.99
    n-heptane 155.93
    ethyl formate 280.05
    1,2-dichloroethane 296.32
    n-hexanol 819.97
    2-methoxyethanol 941.36
    isobutyl acetate 130.49
    tetrachloromethane 105.49
    n-pentyl acetate 173.35
    transcutol 1087.91
    n-heptanol 258.0
    ethylbenzene 38.08
    MIBK 174.08
    2-propoxyethanol 687.97
    tert-butanol 836.34
    MTBE 270.61
    2-butoxyethanol 327.85
    propionic acid 599.98
    o-xylene 47.14
    formic acid 228.28
    diethyl ether 348.8
    m-xylene 50.82
    p-xylene 50.61
    chlorobenzene 112.06
    dimethyl carbonate 60.66
    n-octane 32.08
    formamide 224.59
    cyclopentanone 643.04
    2-pentanone 335.06
    anisole 100.23
    cyclopentyl methyl ether 420.31
    gamma-butyrolactone 650.63
    1-methoxy-2-propanol 644.67
    pyridine 318.17
    3-pentanone 167.98
    furfural 446.62
    n-dodecane 20.46
    diethylene glycol 493.05
    diisopropyl ether 88.16
    tert-amyl alcohol 473.01
    acetylacetone 244.57
    n-hexadecane 21.97
    acetophenone 100.45
    methyl propionate 202.14
    isopentyl acetate 309.72
    trichloroethylene 444.69
    n-nonanol 178.74
    cyclohexanol 588.8
    benzyl alcohol 123.91
    2-ethylhexanol 396.21
    isooctanol 177.77
    dipropyl ether 428.43
    1,2-dichlorobenzene 103.73
    ethyl lactate 112.3
    propylene carbonate 327.43
    n-methylformamide 396.12
    2-pentanol 552.8
    n-pentane 92.43
    1-propoxy-2-propanol 605.94
    1-methoxy-2-propyl acetate 259.77
    2-(2-methoxypropoxy) propanol 226.35
    mesitylene 41.09
    ε-caprolactone 449.19
    p-cymene 65.37
    epichlorohydrin 552.51
    1,1,1-trichloroethane 212.26
    2-aminoethanol 591.09
    morpholine-4-carbaldehyde 453.09
    sulfolane 719.14
    2,2,4-trimethylpentane 31.72
    2-methyltetrahydrofuran 762.31
    n-hexyl acetate 232.92
    isooctane 32.28
    2-(2-butoxyethoxy)ethanol 361.74
    sec-butyl acetate 113.62
    tert-butyl acetate 160.55
    decalin 34.85
    glycerin 418.75
    diglyme 550.36
    acrylic acid 376.28
    isopropyl myristate 94.51
    n-butyric acid 938.55
    acetyl acetate 136.37
    di(2-ethylhexyl) phthalate 90.79
    ethyl propionate 146.95
    nitromethane 639.21
    1,2-diethoxyethane 327.6
    benzonitrile 158.41
    trioctyl phosphate 88.5
    1-bromopropane 239.67
    gamma-valerolactone 677.74
    n-decanol 133.14
    triethyl phosphate 89.26
    4-methyl-2-pentanol 221.4
    propionitrile 311.08
    vinylene carbonate 262.31
    1,1,2-trichlorotrifluoroethane 367.08
    DMS 109.34
    cumene 37.04
    2-octanol 144.59
    2-hexanone 233.71
    octyl acetate 121.93
    limonene 142.02
    1,2-dimethoxyethane 542.62
    ethyl orthosilicate 96.13
    tributyl phosphate 98.89
    diacetone alcohol 271.75
    N,N-dimethylaniline 76.4
    acrylonitrile 299.09
    aniline 150.28
    1,3-propanediol 794.4
    bromobenzene 89.86
    dibromomethane 356.27
    1,1,2,2-tetrachloroethane 361.81
    2-methyl-cyclohexyl acetate 168.97
    tetrabutyl urea 130.67
    diisobutyl methanol 172.48
    2-phenylethanol 175.09
    styrene 48.01
    dioctyl adipate 139.06
    dimethyl sulfate 105.22
    ethyl butyrate 291.69
    methyl lactate 143.97
    butyl lactate 170.39
    diethyl carbonate 142.2
    propanediol butyl ether 318.63
    triethyl orthoformate 191.86
    p-tert-butyltoluene 64.71
    methyl 4-tert-butylbenzoate 134.03
    morpholine 833.42
    tert-butylamine 514.47
    n-dodecanol 102.58
    dimethoxymethane 308.68
    ethylene carbonate 234.32
    cyrene 170.27
    2-ethoxyethyl acetate 176.35
    2-ethylhexyl acetate 228.82
    1,2,4-trichlorobenzene 119.46
    4-methylpyridine 239.88
    dibutyl ether 215.81
    2,6-dimethyl-4-heptanol 172.48
    DEF 323.81
    dimethyl isosorbide 317.15
    tetrachloroethylene 269.42
    eugenol 154.58
    triacetin 155.24
    span 80 297.4
    1,4-butanediol 261.57
    1,1-dichloroethane 271.75
    2-methyl-1-pentanol 311.83
    methyl formate 230.48
    2-methyl-1-butanol 561.33
    n-decane 33.23
    butyronitrile 458.37
    3,7-dimethyl-1-octanol 187.08
    1-chlorooctane 97.38
    1-chlorotetradecane 41.91
    n-nonane 36.25
    undecane 25.3
    tert-butylcyclohexane 35.12
    cyclooctane 36.21
    cyclopentanol 786.31
    tetrahydropyran 828.24
    tert-amyl methyl ether 181.8
    2,5,8-trioxanonane 377.37
    1-hexene 197.44
    2-isopropoxyethanol 266.75
    2,2,2-trifluoroethanol 149.75
    methyl butyrate 246.67

    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