3,7-Dimethyl-1-octyl propionate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    93804-81-0

    Molecular formula
    C13H26O2

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 85.36%
    Fruity 73.32%
    Rose 68.65%
    Sweet 66.88%
    Herbal 52.25%
    Fresh 49.77%
    Waxy 46.99%
    Woody 43.85%
    Green 42.24%
    Citrus 41.15%

     

    Flavor
    Floral 53.56%
    Green 50.06%
    Waxy 49.76%
    Fruity 49.12%
    Oily 43.98%
    Tropical 37.54%
    Rose 36.46%
    Bitter 34.62%
    Soapy 31.73%
    Geranium 29.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    8.19 (weak base)

    Molecular weight
    214.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    243°C

    Flash point

    • 100.32 ˚C est.

  • Synonyms

    • 3,7-Dimethyl-1-octyl propionate
    • 93804-81-0
    • EINECS 298-459-7
    • 3,7-dimethyloctyl Propanoate
    • SCHEMBL12956604
    • DTXSID30917819
    • BKEKBSRLRWINPN-UHFFFAOYSA-N
    • 93804-81-0

  • Applications

    3,7-Dimethyl-1-octyl propionate (CAS 93804-81-0) is typically used as a fragrance ingredient and fixative in perfumery, contributing soft, lasting aroma notes in cosmetics and personal care formulations; it can function as a solvent or co-solvent in cosmetic systems; in household products such as cleaners and air fresheners, it supports fragrance profiles; in industrial manufacturing it may serve as an intermediate in fragrance compound synthesis and can act as a plasticizer or solvent for coatings and inks, depending on regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9630.84
    methanol 8528.82
    isopropanol 8252.7
    water 0.25
    ethyl acetate 7251.49
    n-propanol 6880.5
    acetone 8267.4
    n-butanol 6208.31
    acetonitrile 5139.93
    DMF 3047.69
    toluene 1742.31
    isobutanol 4898.67
    1,4-dioxane 7377.15
    methyl acetate 3825.88
    THF 9315.55
    2-butanone 5596.69
    n-pentanol 4292.75
    sec-butanol 6182.53
    n-hexane 1747.89
    ethylene glycol 260.61
    NMP 2219.05
    cyclohexane 2031.85
    DMSO 3528.4
    n-butyl acetate 5482.89
    n-octanol 1473.9
    chloroform 7896.63
    n-propyl acetate 4479.14
    acetic acid 3388.64
    dichloromethane 7052.86
    cyclohexanone 7232.2
    propylene glycol 769.37
    isopropyl acetate 4690.99
    DMAc 2231.74
    2-ethoxyethanol 3659.2
    isopentanol 5298.08
    n-heptane 583.07
    ethyl formate 3081.58
    1,2-dichloroethane 4609.97
    n-hexanol 4182.74
    2-methoxyethanol 5098.4
    isobutyl acetate 2460.12
    tetrachloromethane 1431.61
    n-pentyl acetate 2838.1
    transcutol 8918.54
    n-heptanol 1474.15
    ethylbenzene 1098.18
    MIBK 3021.61
    2-propoxyethanol 4205.95
    tert-butanol 8179.98
    MTBE 7847.94
    2-butoxyethanol 2241.92
    propionic acid 2477.85
    o-xylene 996.76
    formic acid 561.09
    diethyl ether 8430.87
    m-xylene 1162.68
    p-xylene 1560.87
    chlorobenzene 2307.06
    dimethyl carbonate 472.57
    n-octane 199.79
    formamide 845.36
    cyclopentanone 4750.71
    2-pentanone 5718.96
    anisole 1796.87
    cyclopentyl methyl ether 4720.1
    gamma-butyrolactone 4189.77
    1-methoxy-2-propanol 3817.4
    pyridine 4606.05
    3-pentanone 2716.72
    furfural 2948.03
    n-dodecane 105.24
    diethylene glycol 1537.88
    diisopropyl ether 2256.85
    tert-amyl alcohol 5899.8
    acetylacetone 3920.6
    n-hexadecane 125.18
    acetophenone 1477.39
    methyl propionate 2705.99
    isopentyl acetate 4686.82
    trichloroethylene 6958.65
    n-nonanol 1184.63
    cyclohexanol 4930.04
    benzyl alcohol 1453.19
    2-ethylhexanol 2450.45
    isooctanol 1239.45
    dipropyl ether 3493.83
    1,2-dichlorobenzene 1785.96
    ethyl lactate 904.61
    propylene carbonate 2645.84
    n-methylformamide 1758.93
    2-pentanol 4544.36
    n-pentane 969.95
    1-propoxy-2-propanol 3646.77
    1-methoxy-2-propyl acetate 3139.85
    2-(2-methoxypropoxy) propanol 1452.27
    mesitylene 753.17
    ε-caprolactone 5747.31
    p-cymene 672.96
    epichlorohydrin 5634.3
    1,1,1-trichloroethane 5088.26
    2-aminoethanol 1200.15
    morpholine-4-carbaldehyde 3242.06
    sulfolane 3244.84
    2,2,4-trimethylpentane 382.05
    2-methyltetrahydrofuran 8806.69
    n-hexyl acetate 3406.93
    isooctane 328.31
    2-(2-butoxyethoxy)ethanol 2317.39
    sec-butyl acetate 3227.77
    tert-butyl acetate 3992.61
    decalin 572.48
    glycerin 666.87
    diglyme 4280.99
    acrylic acid 1249.11
    isopropyl myristate 894.4
    n-butyric acid 6343.37
    acetyl acetate 2661.85
    di(2-ethylhexyl) phthalate 673.35
    ethyl propionate 3032.43
    nitromethane 4039.92
    1,2-diethoxyethane 4689.9
    benzonitrile 2303.81
    trioctyl phosphate 524.07
    1-bromopropane 4434.51
    gamma-valerolactone 6500.98
    n-decanol 757.0
    triethyl phosphate 741.02
    4-methyl-2-pentanol 2147.49
    propionitrile 3757.87
    vinylene carbonate 2040.86
    1,1,2-trichlorotrifluoroethane 2751.97
    DMS 1239.41
    cumene 717.65
    2-octanol 1219.11
    2-hexanone 4379.9
    octyl acetate 1064.33
    limonene 1329.0
    1,2-dimethoxyethane 6579.14
    ethyl orthosilicate 856.92
    tributyl phosphate 738.1
    diacetone alcohol 3009.95
    N,N-dimethylaniline 993.18
    acrylonitrile 2841.23
    aniline 2154.37
    1,3-propanediol 2501.62
    bromobenzene 2464.89
    dibromomethane 5434.42
    1,1,2,2-tetrachloroethane 5916.98
    2-methyl-cyclohexyl acetate 1753.91
    tetrabutyl urea 803.43
    diisobutyl methanol 1192.13
    2-phenylethanol 1570.19
    styrene 1437.97
    dioctyl adipate 1165.58
    dimethyl sulfate 598.55
    ethyl butyrate 3245.43
    methyl lactate 755.81
    butyl lactate 1469.65
    diethyl carbonate 1471.39
    propanediol butyl ether 1636.4
    triethyl orthoformate 1782.91
    p-tert-butyltoluene 645.22
    methyl 4-tert-butylbenzoate 1123.25
    morpholine 10207.76
    tert-butylamine 5412.84
    n-dodecanol 513.63
    dimethoxymethane 2548.43
    ethylene carbonate 2213.89
    cyrene 1013.6
    2-ethoxyethyl acetate 2686.55
    2-ethylhexyl acetate 3306.68
    1,2,4-trichlorobenzene 1958.57
    4-methylpyridine 4823.54
    dibutyl ether 2933.65
    2,6-dimethyl-4-heptanol 1192.13
    DEF 4106.28
    dimethyl isosorbide 2119.62
    tetrachloroethylene 3731.82
    eugenol 1067.49
    triacetin 1700.48
    span 80 1508.67
    1,4-butanediol 919.93
    1,1-dichloroethane 6134.58
    2-methyl-1-pentanol 3356.97
    methyl formate 1067.89
    2-methyl-1-butanol 4340.56
    n-decane 245.36
    butyronitrile 5951.38
    3,7-dimethyl-1-octanol 1501.26
    1-chlorooctane 1074.01
    1-chlorotetradecane 309.75
    n-nonane 276.41
    undecane 149.88
    tert-butylcyclohexane 540.43
    cyclooctane 436.86
    cyclopentanol 3958.12
    tetrahydropyran 11614.24
    tert-amyl methyl ether 4087.56
    2,5,8-trioxanonane 2234.69
    1-hexene 4923.35
    2-isopropoxyethanol 2723.46
    2,2,2-trifluoroethanol 574.71
    methyl butyrate 4671.23

    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