1-Octen-3-ol, 3,7-dimethyl-, 3-acetate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    68345-17-5

    Molecular formula
    C12H22O2

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

    Retention indicies (RI)

    • DB5: 1298.0

  • Odor profile

    Floral 74.24%
    Woody 70.04%
    Fruity 67.39%
    Citrus 60.41%
    Fresh 60.38%
    Sweet 59.12%
    Bergamot 58.18%
    Herbal 52.86%
    Lavender 51.78%
    Rose 42.81%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.66 (weak base)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    215°C

    Flash point est.
    88.33 ˚C

  • Synonyms

    • 3,7-Dimethyloct-1-en-3-yl acetate
    • 68345-17-5
    • 1-Octen-3-ol, 3,7-dimethyl-, acetate
    • 1-Octen-3-ol, 3,7-dimethyl-, 3-acetate
    • EINECS 269-847-3
    • 3,7-Dimethyl-1-octen-3-yl acetate
    • DTXSID60887339
    • Dihydrolinalyl acetate
    • 6,7-Dihydrolinalyl acetate
    • 6,7-Dihydrolinalool, acetate
    • SCHEMBL8156416
    • DTXCID501026640
    • NS00060069
    • 269-847-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2246.31
    methanol 2268.64
    isopropanol 2076.23
    water 0.78
    ethyl acetate 1673.48
    n-propanol 1814.22
    acetone 1585.54
    n-butanol 2037.53
    acetonitrile 901.19
    DMF 1731.86
    toluene 1035.44
    isobutanol 1732.54
    1,4-dioxane 2671.52
    methyl acetate 1137.67
    THF 3840.07
    2-butanone 1408.49
    n-pentanol 1528.19
    sec-butanol 2078.59
    n-hexane 900.55
    ethylene glycol 215.17
    NMP 1801.62
    cyclohexane 901.99
    DMSO 1146.99
    n-butyl acetate 1697.84
    n-octanol 924.84
    chloroform 3105.61
    n-propyl acetate 907.64
    acetic acid 1063.28
    dichloromethane 2099.68
    cyclohexanone 2498.08
    propylene glycol 560.98
    isopropyl acetate 1302.87
    DMAc 1753.77
    2-ethoxyethanol 1039.78
    isopentanol 1983.04
    n-heptane 346.36
    ethyl formate 766.01
    1,2-dichloroethane 1382.57
    n-hexanol 2558.92
    2-methoxyethanol 1633.68
    isobutyl acetate 769.17
    tetrachloromethane 559.99
    n-pentyl acetate 931.58
    transcutol 3525.32
    n-heptanol 798.53
    ethylbenzene 627.78
    MIBK 1073.89
    2-propoxyethanol 2155.91
    tert-butanol 2831.12
    MTBE 2753.05
    2-butoxyethanol 877.64
    propionic acid 999.09
    o-xylene 659.02
    formic acid 276.5
    diethyl ether 2160.81
    m-xylene 819.72
    p-xylene 777.29
    chlorobenzene 967.87
    dimethyl carbonate 343.19
    n-octane 129.69
    formamide 265.2
    cyclopentanone 1843.95
    2-pentanone 1476.49
    anisole 843.17
    cyclopentyl methyl ether 2106.01
    gamma-butyrolactone 1949.78
    1-methoxy-2-propanol 1609.92
    pyridine 1364.49
    3-pentanone 1019.89
    furfural 1299.54
    n-dodecane 96.85
    diethylene glycol 980.43
    diisopropyl ether 889.09
    tert-amyl alcohol 2540.81
    acetylacetone 1181.77
    n-hexadecane 110.8
    acetophenone 686.49
    methyl propionate 1014.97
    isopentyl acetate 1575.52
    trichloroethylene 2247.95
    n-nonanol 767.5
    cyclohexanol 2312.98
    benzyl alcohol 695.18
    2-ethylhexanol 1282.68
    isooctanol 632.12
    dipropyl ether 1104.94
    1,2-dichlorobenzene 815.9
    ethyl lactate 368.93
    propylene carbonate 1206.33
    n-methylformamide 648.42
    2-pentanol 1687.03
    n-pentane 561.05
    1-propoxy-2-propanol 1610.51
    1-methoxy-2-propyl acetate 1306.54
    2-(2-methoxypropoxy) propanol 950.96
    mesitylene 534.28
    ε-caprolactone 2131.61
    p-cymene 386.56
    epichlorohydrin 2076.07
    1,1,1-trichloroethane 1861.33
    2-aminoethanol 615.26
    morpholine-4-carbaldehyde 1816.75
    sulfolane 1741.64
    2,2,4-trimethylpentane 289.45
    2-methyltetrahydrofuran 3360.67
    n-hexyl acetate 1635.5
    isooctane 235.33
    2-(2-butoxyethoxy)ethanol 1313.38
    sec-butyl acetate 828.38
    tert-butyl acetate 1464.22
    decalin 374.97
    glycerin 534.49
    diglyme 1813.2
    acrylic acid 569.17
    isopropyl myristate 539.95
    n-butyric acid 1816.11
    acetyl acetate 845.93
    di(2-ethylhexyl) phthalate 467.24
    ethyl propionate 827.51
    nitromethane 1095.54
    1,2-diethoxyethane 1446.98
    benzonitrile 861.13
    trioctyl phosphate 349.95
    1-bromopropane 1502.04
    gamma-valerolactone 2321.36
    n-decanol 540.03
    triethyl phosphate 346.25
    4-methyl-2-pentanol 1023.95
    propionitrile 978.39
    vinylene carbonate 955.68
    1,1,2-trichlorotrifluoroethane 1266.96
    DMS 749.26
    cumene 439.31
    2-octanol 656.25
    2-hexanone 1099.92
    octyl acetate 701.06
    limonene 760.67
    1,2-dimethoxyethane 1940.93
    ethyl orthosilicate 387.5
    tributyl phosphate 449.89
    diacetone alcohol 1314.57
    N,N-dimethylaniline 636.82
    acrylonitrile 784.34
    aniline 929.61
    1,3-propanediol 954.39
    bromobenzene 1088.72
    dibromomethane 1730.41
    1,1,2,2-tetrachloroethane 2199.75
    2-methyl-cyclohexyl acetate 834.01
    tetrabutyl urea 541.75
    diisobutyl methanol 582.41
    2-phenylethanol 963.06
    styrene 670.45
    dioctyl adipate 649.94
    dimethyl sulfate 478.17
    ethyl butyrate 867.57
    methyl lactate 468.69
    butyl lactate 645.03
    diethyl carbonate 502.1
    propanediol butyl ether 968.89
    triethyl orthoformate 609.63
    p-tert-butyltoluene 392.26
    methyl 4-tert-butylbenzoate 717.68
    morpholine 3212.34
    tert-butylamine 2083.53
    n-dodecanol 398.97
    dimethoxymethane 1302.48
    ethylene carbonate 926.87
    cyrene 675.79
    2-ethoxyethyl acetate 942.17
    2-ethylhexyl acetate 1266.72
    1,2,4-trichlorobenzene 981.72
    4-methylpyridine 1913.21
    dibutyl ether 1170.31
    2,6-dimethyl-4-heptanol 582.41
    DEF 1478.29
    dimethyl isosorbide 1430.91
    tetrachloroethylene 1320.48
    eugenol 627.87
    triacetin 927.93
    span 80 971.0
    1,4-butanediol 408.42
    1,1-dichloroethane 1863.31
    2-methyl-1-pentanol 1462.54
    methyl formate 482.63
    2-methyl-1-butanol 1879.55
    n-decane 178.8
    butyronitrile 1429.07
    3,7-dimethyl-1-octanol 939.1
    1-chlorooctane 624.95
    1-chlorotetradecane 237.86
    n-nonane 191.91
    undecane 125.86
    tert-butylcyclohexane 380.79
    cyclooctane 299.5
    cyclopentanol 1803.42
    tetrahydropyran 3598.09
    tert-amyl methyl ether 1918.16
    2,5,8-trioxanonane 1222.94
    1-hexene 1752.54
    2-isopropoxyethanol 886.35
    2,2,2-trifluoroethanol 273.08
    methyl butyrate 1081.72

    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
Marjoram, sweet 4a historical solvent extract 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.4%
Marjoram, sweet 4b standard essential oil 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.1%