7-Octen-2-ol, 2-methyl-6-methylene-, propanoate

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  • Identifiers

    CAS number
    94134-88-0

    Molecular formula
    C13H22O2

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

  • Odor profile

    Fragrance
    Floral 69.37%
    Woody 64.92%
    Citrus 59.19%
    Fruity 56.4%
    Fresh 55.43%
    Sweet 52.61%
    Herbal 48.3%
    Bergamot 47.93%
    Lavender 45.73%
    Rose 45.38%

     

    Flavor
    Floral 62.54%
    Woody 54.86%
    Fruity 48.35%
    Bergamot 45.51%
    Citrus 44.53%
    Lavender 42.95%
    Tropical 33.39%
    Fresh 27.43%
    Herbal 24.45%
    Wood 24.26%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    8.32 (weak base)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    240°C

    Flash point

    • 97.06 ˚C est.

  • Synonyms

    • 2-Methyl-6-methyleneoct-7-en-2-yl propionate
    • 94134-88-0
    • CB64AW77WD
    • 7-Octen-2-ol, 2-methyl-6-methylene-, propanoate
    • myrcenyl propionate
    • EINECS 302-858-4
    • UNII-CB64AW77WD
    • DTXSID70240734
    • NS00040131
    • 7-OCTEN-2-OL, 2-METHYL-6-METHYLENE-, 2-PROPANOATE

  • Applications

    7-Octen-2-ol, 2-methyl-6-methylene-, propanoate (CAS 94134-88-0) is an ester commonly used in fragrance and flavor applications as an aroma chemical and fragrance intermediate; in perfumery it can contribute fresh, green notes and may act as a fixative to extend scent longevity; in cosmetics and personal care formulations it provides scented functionality; in household products such as air fresheners and cleaners it serves as a fragrance additive; in industrial manufacturing it may be used as an intermediate for the synthesis of other terpene-derived odorants and related aroma compounds; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1993.03
    methanol 2086.15
    isopropanol 2015.57
    water 0.91
    ethyl acetate 1696.05
    n-propanol 1848.87
    acetone 1608.97
    n-butanol 1963.7
    acetonitrile 1032.12
    DMF 1713.94
    toluene 1153.56
    isobutanol 1776.73
    1,4-dioxane 2312.6
    methyl acetate 1201.82
    THF 2999.59
    2-butanone 1579.68
    n-pentanol 1635.04
    sec-butanol 2198.39
    n-hexane 961.66
    ethylene glycol 158.24
    NMP 1744.72
    cyclohexane 897.78
    DMSO 1139.96
    n-butyl acetate 1478.18
    n-octanol 960.69
    chloroform 3911.84
    n-propyl acetate 994.68
    acetic acid 1073.22
    dichloromethane 2716.63
    cyclohexanone 2590.77
    propylene glycol 421.34
    isopropyl acetate 1263.96
    DMAc 1981.99
    2-ethoxyethanol 1092.96
    isopentanol 1944.88
    n-heptane 348.08
    ethyl formate 795.84
    1,2-dichloroethane 1571.89
    n-hexanol 2219.35
    2-methoxyethanol 1486.03
    isobutyl acetate 776.52
    tetrachloromethane 605.51
    n-pentyl acetate 963.19
    transcutol 3268.04
    n-heptanol 783.59
    ethylbenzene 838.08
    MIBK 1054.51
    2-propoxyethanol 1815.1
    tert-butanol 2733.22
    MTBE 2711.32
    2-butoxyethanol 846.01
    propionic acid 976.58
    o-xylene 796.14
    formic acid 257.94
    diethyl ether 2175.48
    m-xylene 909.6
    p-xylene 990.52
    chlorobenzene 1063.2
    dimethyl carbonate 366.11
    n-octane 147.3
    formamide 265.75
    cyclopentanone 1755.8
    2-pentanone 1534.33
    anisole 983.95
    cyclopentyl methyl ether 1959.53
    gamma-butyrolactone 1787.14
    1-methoxy-2-propanol 1446.39
    pyridine 1397.89
    3-pentanone 1126.32
    furfural 1259.85
    n-dodecane 103.05
    diethylene glycol 824.85
    diisopropyl ether 886.34
    tert-amyl alcohol 2601.47
    acetylacetone 1199.94
    n-hexadecane 116.09
    acetophenone 814.62
    methyl propionate 1012.24
    isopentyl acetate 1410.63
    trichloroethylene 2607.77
    n-nonanol 777.73
    cyclohexanol 2185.1
    benzyl alcohol 798.72
    2-ethylhexanol 1172.58
    isooctanol 617.71
    dipropyl ether 1100.22
    1,2-dichlorobenzene 922.98
    ethyl lactate 391.4
    propylene carbonate 1179.9
    n-methylformamide 660.19
    2-pentanol 1732.78
    n-pentane 606.5
    1-propoxy-2-propanol 1321.61
    1-methoxy-2-propyl acetate 1125.09
    2-(2-methoxypropoxy) propanol 899.54
    mesitylene 550.67
    ε-caprolactone 2152.43
    p-cymene 386.86
    epichlorohydrin 1912.27
    1,1,1-trichloroethane 2009.87
    2-aminoethanol 509.12
    morpholine-4-carbaldehyde 1771.69
    sulfolane 1677.13
    2,2,4-trimethylpentane 290.43
    2-methyltetrahydrofuran 2828.6
    n-hexyl acetate 1617.11
    isooctane 208.72
    2-(2-butoxyethoxy)ethanol 1219.93
    sec-butyl acetate 857.0
    tert-butyl acetate 1362.89
    decalin 378.41
    glycerin 430.95
    diglyme 1779.78
    acrylic acid 565.37
    isopropyl myristate 534.2
    n-butyric acid 1701.41
    acetyl acetate 872.04
    di(2-ethylhexyl) phthalate 446.21
    ethyl propionate 893.14
    nitromethane 1209.65
    1,2-diethoxyethane 1392.62
    benzonitrile 955.07
    trioctyl phosphate 335.91
    1-bromopropane 1698.91
    gamma-valerolactone 2145.02
    n-decanol 525.33
    triethyl phosphate 370.78
    4-methyl-2-pentanol 976.01
    propionitrile 1131.42
    vinylene carbonate 1032.48
    1,1,2-trichlorotrifluoroethane 1224.95
    DMS 788.86
    cumene 533.87
    2-octanol 682.65
    2-hexanone 1210.94
    octyl acetate 681.09
    limonene 729.86
    1,2-dimethoxyethane 2043.72
    ethyl orthosilicate 405.13
    tributyl phosphate 447.51
    diacetone alcohol 1183.83
    N,N-dimethylaniline 729.19
    acrylonitrile 871.79
    aniline 955.42
    1,3-propanediol 844.52
    bromobenzene 1221.11
    dibromomethane 2171.06
    1,1,2,2-tetrachloroethane 2543.34
    2-methyl-cyclohexyl acetate 801.51
    tetrabutyl urea 539.75
    diisobutyl methanol 514.81
    2-phenylethanol 933.4
    styrene 892.52
    dioctyl adipate 646.92
    dimethyl sulfate 541.77
    ethyl butyrate 904.44
    methyl lactate 458.29
    butyl lactate 635.7
    diethyl carbonate 545.05
    propanediol butyl ether 903.81
    triethyl orthoformate 610.41
    p-tert-butyltoluene 378.01
    methyl 4-tert-butylbenzoate 751.13
    morpholine 2596.39
    tert-butylamine 2033.06
    n-dodecanol 384.29
    dimethoxymethane 1189.77
    ethylene carbonate 958.5
    cyrene 658.98
    2-ethoxyethyl acetate 903.04
    2-ethylhexyl acetate 1136.92
    1,2,4-trichlorobenzene 1055.01
    4-methylpyridine 2013.45
    dibutyl ether 1241.31
    2,6-dimethyl-4-heptanol 514.81
    DEF 1577.49
    dimethyl isosorbide 1280.7
    tetrachloroethylene 1507.04
    eugenol 652.99
    triacetin 953.82
    span 80 877.84
    1,4-butanediol 418.09
    1,1-dichloroethane 2126.17
    2-methyl-1-pentanol 1598.61
    methyl formate 509.41
    2-methyl-1-butanol 1893.03
    n-decane 192.46
    butyronitrile 1548.94
    3,7-dimethyl-1-octanol 920.9
    1-chlorooctane 656.24
    1-chlorotetradecane 239.54
    n-nonane 214.12
    undecane 135.09
    tert-butylcyclohexane 378.83
    cyclooctane 282.11
    cyclopentanol 1604.7
    tetrahydropyran 3163.51
    tert-amyl methyl ether 1993.39
    2,5,8-trioxanonane 1211.3
    1-hexene 1960.12
    2-isopropoxyethanol 939.27
    2,2,2-trifluoroethanol 274.74
    methyl butyrate 1174.09

    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