6-Hepten-2-ol, 6-methyl-, 2-acetate

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  • Identifiers

    CAS number
    38228-51-2

    Molecular formula
    C10H18O2

    SMILES
    CC(CCCC(=C)C)OC(=O)C

  • Odor profile

    Fragrance
    Fruity 85.32%
    Floral 73.64%
    Green 62.19%
    Citrus 56.66%
    Fresh 52.72%
    Rose 50.81%
    Sweet 46.99%
    Tropical 43.2%
    Herbal 42.67%
    Pear 35.59%

     

    Flavor
    Fruity 53.67%
    Floral 52.86%
    Woody 49.07%
    Green 47.69%
    Herbal 44.29%
    Tropical 43.66%
    Lavender 37.64%
    Citrus 36.6%
    Sweet 34.41%
    Fresh 32.06%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.54 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    194°C

    Flash point

    • 73.58 ˚C est.

  • Synonyms

    • 1,5-Dimethylhex-5-enyl acetate
    • 6-methylhept-6-en-2-yl acetate
    • 38228-51-2
    • 6-Hepten-2-ol, 6-methyl-, acetate
    • 6-Hepten-2-ol, 6-methyl-, 2-acetate
    • EINECS 253-840-7
    • DTXSID90865903
    • DTXCID00814260
    • BJZUDLDYGABDLT-UHFFFAOYSA-N
    • DB-253556
    • NS00012304

  • Applications

    For 6-Hepten-2-ol, 6-methyl-, 2-acetate (CAS 38228-51-2), real-world applications are primarily in fragrance and odorant use, cosmetics and personal care, and household cleaning and consumer products; it is commonly used as a fragrance component in perfumery and personal care products; it may be considered as a flavor/aroma ingredient in foods and beverages where permitted by regulations; it can also function as an intermediate or building block in industrial manufacturing and chemical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3439.77
    methanol 4087.26
    isopropanol 2700.56
    water 8.28
    ethyl acetate 1065.67
    n-propanol 2120.31
    acetone 1707.73
    n-butanol 2009.01
    acetonitrile 1086.7
    DMF 1672.61
    toluene 342.37
    isobutanol 1550.78
    1,4-dioxane 2264.26
    methyl acetate 827.37
    THF 2747.83
    2-butanone 900.48
    n-pentanol 1276.47
    sec-butanol 1814.06
    n-hexane 260.9
    ethylene glycol 603.19
    NMP 1287.12
    cyclohexane 229.15
    DMSO 1288.36
    n-butyl acetate 771.92
    n-octanol 641.24
    chloroform 2095.69
    n-propyl acetate 513.62
    acetic acid 2034.99
    dichloromethane 1522.68
    cyclohexanone 1460.62
    propylene glycol 1160.76
    isopropyl acetate 699.08
    DMAc 1291.76
    2-ethoxyethanol 1255.41
    isopentanol 1537.53
    n-heptane 118.74
    ethyl formate 664.92
    1,2-dichloroethane 793.8
    n-hexanol 1631.57
    2-methoxyethanol 2255.08
    isobutyl acetate 364.09
    tetrachloromethane 260.53
    n-pentyl acetate 468.5
    transcutol 3581.41
    n-heptanol 477.12
    ethylbenzene 215.19
    MIBK 599.8
    2-propoxyethanol 1769.69
    tert-butanol 2837.88
    MTBE 1352.49
    2-butoxyethanol 698.54
    propionic acid 1187.0
    o-xylene 244.61
    formic acid 690.56
    diethyl ether 1194.84
    m-xylene 296.43
    p-xylene 272.63
    chlorobenzene 435.42
    dimethyl carbonate 218.93
    n-octane 46.6
    formamide 557.08
    cyclopentanone 1223.53
    2-pentanone 902.21
    anisole 464.89
    cyclopentyl methyl ether 1120.83
    gamma-butyrolactone 1404.41
    1-methoxy-2-propanol 1801.33
    pyridine 802.91
    3-pentanone 513.31
    furfural 1051.68
    n-dodecane 41.63
    diethylene glycol 1186.71
    diisopropyl ether 352.12
    tert-amyl alcohol 1818.61
    acetylacetone 846.81
    n-hexadecane 45.69
    acetophenone 376.22
    methyl propionate 646.51
    isopentyl acetate 687.56
    trichloroethylene 1388.28
    n-nonanol 511.22
    cyclohexanol 1561.54
    benzyl alcohol 518.52
    2-ethylhexanol 675.31
    isooctanol 362.07
    dipropyl ether 552.12
    1,2-dichlorobenzene 361.14
    ethyl lactate 289.56
    propylene carbonate 815.43
    n-methylformamide 846.01
    2-pentanol 1264.61
    n-pentane 196.34
    1-propoxy-2-propanol 1158.75
    1-methoxy-2-propyl acetate 733.77
    2-(2-methoxypropoxy) propanol 710.99
    mesitylene 184.61
    ε-caprolactone 1240.87
    p-cymene 153.51
    epichlorohydrin 1494.78
    1,1,1-trichloroethane 879.71
    2-aminoethanol 1254.11
    morpholine-4-carbaldehyde 1567.18
    sulfolane 1210.61
    2,2,4-trimethylpentane 92.27
    2-methyltetrahydrofuran 1945.17
    n-hexyl acetate 893.92
    isooctane 74.3
    2-(2-butoxyethoxy)ethanol 1116.92
    sec-butyl acetate 383.97
    tert-butyl acetate 776.59
    decalin 102.85
    glycerin 1006.08
    diglyme 1449.88
    acrylic acid 766.69
    isopropyl myristate 278.16
    n-butyric acid 1698.46
    acetyl acetate 569.97
    di(2-ethylhexyl) phthalate 277.42
    ethyl propionate 412.72
    nitromethane 1643.59
    1,2-diethoxyethane 914.86
    benzonitrile 550.22
    trioctyl phosphate 204.21
    1-bromopropane 668.56
    gamma-valerolactone 1770.04
    n-decanol 358.7
    triethyl phosphate 189.94
    4-methyl-2-pentanol 644.48
    propionitrile 791.16
    vinylene carbonate 699.43
    1,1,2-trichlorotrifluoroethane 1065.04
    DMS 422.93
    cumene 164.04
    2-octanol 369.35
    2-hexanone 623.77
    octyl acetate 388.41
    limonene 301.0
    1,2-dimethoxyethane 1598.8
    ethyl orthosilicate 204.51
    tributyl phosphate 260.68
    diacetone alcohol 972.04
    N,N-dimethylaniline 324.21
    acrylonitrile 721.97
    aniline 607.56
    1,3-propanediol 1524.61
    bromobenzene 412.91
    dibromomethane 1060.85
    1,1,2,2-tetrachloroethane 1284.28
    2-methyl-cyclohexyl acetate 406.33
    tetrabutyl urea 317.83
    diisobutyl methanol 291.55
    2-phenylethanol 557.4
    styrene 250.03
    dioctyl adipate 380.23
    dimethyl sulfate 309.93
    ethyl butyrate 421.52
    methyl lactate 421.04
    butyl lactate 405.96
    diethyl carbonate 263.5
    propanediol butyl ether 952.48
    triethyl orthoformate 315.32
    p-tert-butyltoluene 158.57
    methyl 4-tert-butylbenzoate 418.17
    morpholine 2733.51
    tert-butylamine 1604.01
    n-dodecanol 256.05
    dimethoxymethane 1025.92
    ethylene carbonate 634.69
    cyrene 506.37
    2-ethoxyethyl acetate 578.37
    2-ethylhexyl acetate 502.94
    1,2,4-trichlorobenzene 456.08
    4-methylpyridine 1027.0
    dibutyl ether 620.58
    2,6-dimethyl-4-heptanol 291.55
    DEF 899.72
    dimethyl isosorbide 981.62
    tetrachloroethylene 744.86
    eugenol 424.1
    triacetin 606.57
    span 80 701.82
    1,4-butanediol 641.51
    1,1-dichloroethane 1036.18
    2-methyl-1-pentanol 1003.57
    methyl formate 594.48
    2-methyl-1-butanol 1366.02
    n-decane 75.15
    butyronitrile 1074.87
    3,7-dimethyl-1-octanol 565.32
    1-chlorooctane 292.5
    1-chlorotetradecane 108.21
    n-nonane 77.87
    undecane 53.21
    tert-butylcyclohexane 116.58
    cyclooctane 68.81
    cyclopentanol 1447.83
    tetrahydropyran 2109.89
    tert-amyl methyl ether 908.66
    2,5,8-trioxanonane 1051.56
    1-hexene 680.43
    2-isopropoxyethanol 815.88
    2,2,2-trifluoroethanol 435.99
    methyl butyrate 584.14

    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