3,7-Dimethyloctyl valerate

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  • Identifiers

    CAS number
    93857-93-3

    Molecular formula
    C15H30O2

    SMILES
    CCCCC(=O)OCCC(C)CCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 74.58%
    Floral 72.23%
    Herbal 60.9%
    Rose 57.26%
    Oily 47.93%
    Sweet 44.61%
    Winey 37.69%
    Waxy 33.73%
    Apple 32.85%
    Woody 32.46%

     

    Flavor
    Fruity 49.39%
    Oily 46.73%
    Green 45.56%
    Waxy 44.63%
    Floral 40.72%
    Tropical 32.9%
    Soapy 32.06%
    Herbal 30.39%
    Rose 26.2%
    Mild 25.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    7.7 (neutral)

    Molecular weight
    242.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    275°C

    Flash point

    • 115.04 ˚C est.

  • Synonyms

    • 3,7-Dimethyloctyl valerate
    • 93857-93-3
    • EINECS 299-227-8
    • 3,7-dimethyloctyl pentanoate
    • SCHEMBL29827548
    • DTXSID70917439
    • LMPYVHIIYCATHK-UHFFFAOYSA-N
    • NS00062749
    • 93857-93-3

  • Applications

    3,7-Dimethyloctyl valerate, CAS 93857-93-3, is commonly used as a fragrance ingredient and fixative in perfumery; as a solvent and carrier for fragrance components in cosmetics and personal care; as an emollient and solvent in cosmetic formulations; as a plasticizer or processing aid in polymer formulations and coatings; and as a component in household products (cleaners) and inks to adjust volatility, solvency, and viscosity.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8034.41
    methanol 6831.22
    isopropanol 7344.74
    water 0.15
    ethyl acetate 6489.33
    n-propanol 5860.03
    acetone 7437.82
    n-butanol 5570.34
    acetonitrile 3650.54
    DMF 3132.89
    toluene 1789.93
    isobutanol 4508.44
    1,4-dioxane 6696.97
    methyl acetate 3361.82
    THF 9428.35
    2-butanone 5263.29
    n-pentanol 3748.23
    sec-butanol 5484.43
    n-hexane 1488.5
    ethylene glycol 210.16
    NMP 2382.29
    cyclohexane 2394.16
    DMSO 3523.53
    n-butyl acetate 5274.1
    n-octanol 1394.09
    chloroform 7255.07
    n-propyl acetate 4236.22
    acetic acid 2781.36
    dichloromethane 6497.68
    cyclohexanone 7702.4
    propylene glycol 681.32
    isopropyl acetate 4351.03
    DMAc 2358.95
    2-ethoxyethanol 3053.0
    isopentanol 4850.0
    n-heptane 614.86
    ethyl formate 2650.19
    1,2-dichloroethane 4838.19
    n-hexanol 3775.45
    2-methoxyethanol 4440.24
    isobutyl acetate 2386.86
    tetrachloromethane 1272.19
    n-pentyl acetate 2835.31
    transcutol 8101.59
    n-heptanol 1429.14
    ethylbenzene 1086.04
    MIBK 2966.77
    2-propoxyethanol 3697.61
    tert-butanol 6859.1
    MTBE 6891.98
    2-butoxyethanol 2190.17
    propionic acid 2152.54
    o-xylene 1045.55
    formic acid 424.35
    diethyl ether 7144.8
    m-xylene 1179.58
    p-xylene 1564.44
    chlorobenzene 2366.32
    dimethyl carbonate 450.93
    n-octane 214.95
    formamide 665.02
    cyclopentanone 4888.79
    2-pentanone 5423.79
    anisole 1708.04
    cyclopentyl methyl ether 4492.39
    gamma-butyrolactone 4184.57
    1-methoxy-2-propanol 3595.91
    pyridine 4654.11
    3-pentanone 2554.38
    furfural 2889.65
    n-dodecane 110.29
    diethylene glycol 1355.15
    diisopropyl ether 2019.87
    tert-amyl alcohol 5025.83
    acetylacetone 3754.74
    n-hexadecane 133.93
    acetophenone 1494.59
    methyl propionate 2472.86
    isopentyl acetate 4615.59
    trichloroethylene 6843.79
    n-nonanol 1144.0
    cyclohexanol 5035.1
    benzyl alcohol 1377.34
    2-ethylhexanol 2338.8
    isooctanol 1224.74
    dipropyl ether 3238.49
    1,2-dichlorobenzene 1878.6
    ethyl lactate 883.01
    propylene carbonate 2706.34
    n-methylformamide 1628.28
    2-pentanol 4193.7
    n-pentane 878.5
    1-propoxy-2-propanol 3424.59
    1-methoxy-2-propyl acetate 2887.87
    2-(2-methoxypropoxy) propanol 1427.7
    mesitylene 781.41
    ε-caprolactone 5609.37
    p-cymene 723.1
    epichlorohydrin 5519.23
    1,1,1-trichloroethane 4804.59
    2-aminoethanol 983.96
    morpholine-4-carbaldehyde 3046.54
    sulfolane 3409.8
    2,2,4-trimethylpentane 355.3
    2-methyltetrahydrofuran 8194.32
    n-hexyl acetate 3352.54
    isooctane 309.96
    2-(2-butoxyethoxy)ethanol 2272.21
    sec-butyl acetate 3031.29
    tert-butyl acetate 3656.94
    decalin 594.67
    glycerin 577.74
    diglyme 4236.73
    acrylic acid 1051.92
    isopropyl myristate 955.44
    n-butyric acid 5837.7
    acetyl acetate 2473.77
    di(2-ethylhexyl) phthalate 684.17
    ethyl propionate 2764.99
    nitromethane 3532.96
    1,2-diethoxyethane 4334.46
    benzonitrile 2244.06
    trioctyl phosphate 546.63
    1-bromopropane 4322.22
    gamma-valerolactone 6457.18
    n-decanol 726.07
    triethyl phosphate 736.29
    4-methyl-2-pentanol 1990.29
    propionitrile 2968.72
    vinylene carbonate 2015.08
    1,1,2-trichlorotrifluoroethane 2535.11
    DMS 1209.03
    cumene 722.64
    2-octanol 1178.21
    2-hexanone 4009.02
    octyl acetate 1131.46
    limonene 1425.56
    1,2-dimethoxyethane 5827.75
    ethyl orthosilicate 833.69
    tributyl phosphate 728.96
    diacetone alcohol 2746.51
    N,N-dimethylaniline 1000.31
    acrylonitrile 2271.57
    aniline 1986.1
    1,3-propanediol 2299.49
    bromobenzene 2530.63
    dibromomethane 5153.43
    1,1,2,2-tetrachloroethane 5921.84
    2-methyl-cyclohexyl acetate 1766.86
    tetrabutyl urea 859.04
    diisobutyl methanol 1236.35
    2-phenylethanol 1517.67
    styrene 1415.93
    dioctyl adipate 1215.08
    dimethyl sulfate 563.47
    ethyl butyrate 3254.69
    methyl lactate 720.69
    butyl lactate 1535.41
    diethyl carbonate 1434.26
    propanediol butyl ether 1632.39
    triethyl orthoformate 1780.01
    p-tert-butyltoluene 672.6
    methyl 4-tert-butylbenzoate 1194.81
    morpholine 9653.59
    tert-butylamine 4506.77
    n-dodecanol 508.68
    dimethoxymethane 2498.51
    ethylene carbonate 2231.18
    cyrene 984.42
    2-ethoxyethyl acetate 2679.55
    2-ethylhexyl acetate 3329.07
    1,2,4-trichlorobenzene 2005.19
    4-methylpyridine 4732.1
    dibutyl ether 2926.12
    2,6-dimethyl-4-heptanol 1236.35
    DEF 3787.1
    dimethyl isosorbide 2110.27
    tetrachloroethylene 3758.35
    eugenol 1109.49
    triacetin 1717.24
    span 80 1526.46
    1,4-butanediol 808.91
    1,1-dichloroethane 5887.75
    2-methyl-1-pentanol 2962.47
    methyl formate 966.01
    2-methyl-1-butanol 3953.72
    n-decane 253.13
    butyronitrile 5027.83
    3,7-dimethyl-1-octanol 1440.05
    1-chlorooctane 1067.93
    1-chlorotetradecane 326.79
    n-nonane 283.5
    undecane 156.99
    tert-butylcyclohexane 531.32
    cyclooctane 487.68
    cyclopentanol 3904.41
    tetrahydropyran 11704.46
    tert-amyl methyl ether 3572.16
    2,5,8-trioxanonane 2279.73
    1-hexene 4118.65
    2-isopropoxyethanol 2284.78
    2,2,2-trifluoroethanol 482.24
    methyl butyrate 4369.3

    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