Butanoic acid, 3,7-dimethyloctyl ester

Overview IFRA Request a quote

  • Identifiers

    CAS number
    67874-80-0

    Molecular formula
    C14H28O2

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

  • Odor profile

    Fragrance
    Fruity 82.61%
    Floral 80.49%
    Rose 66.19%
    Herbal 60.13%
    Sweet 56.07%
    Woody 40.44%
    Oily 39.26%
    Waxy 38.76%
    Fresh 37.09%
    Apple 35.89%

     

    Flavor
    Fruity 65.47%
    Green 55.46%
    Waxy 51.03%
    Oily 46.08%
    Floral 46.0%
    Tropical 42.53%
    Sweet 37.36%
    Soapy 35.34%
    Rose 33.94%
    Apple 33.55%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    7.77 (neutral)

    Molecular weight
    228.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    258°C

    Flash point

    • 107.14 ˚C est.

  • Synonyms

    • Tetrahydrogeranyl butyrate
    • 67874-80-0
    • 3,7-dimethyloctyl butanoate
    • BUTANOIC ACID, 3,7-DIMETHYLOCTYL ESTER
    • 3,7-Dimethyloctanyl butyrate
    • EINECS 267-508-4
    • BRN 1772718
    • DTXSID30886995
    • 3,7-Dimethyloctyl butyrate
    • SCHEMBL2421195
    • MHOJKRQFONEPRN-UHFFFAOYSA-N
    • DTXCID901026311
    • NS00012233

  • Applications

    Butanoic acid, 3,7-dimethyloctyl ester (CAS 67874-80-0) is a high-molecular-weight aliphatic ester commonly used in perfumery as a fragrance ingredient and fixative to help stabilize and prolong aromas in formulations. In cosmetics and personal care, it may function as an emollient and solvent for other fragrance or active ingredients, contributing to texture and scent delivery. In household products, it can serve as a fragrance component and carrier fluid in cleaners and wax-based formulations. In coatings, inks and adhesives, it acts as a plasticizer or processing aid to improve flexibility and film formation. In polymers and plastics processing, it can serve as a processing aid or lubricant additive to facilitate molding and compounding. Its use is usually formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11648.32
    methanol 10029.61
    isopropanol 11155.42
    water 0.21
    ethyl acetate 8689.72
    n-propanol 8788.02
    acetone 11664.45
    n-butanol 8030.99
    acetonitrile 6331.81
    DMF 4369.14
    toluene 2166.94
    isobutanol 6520.77
    1,4-dioxane 8959.49
    methyl acetate 4599.86
    THF 12715.86
    2-butanone 7485.9
    n-pentanol 5164.72
    sec-butanol 8120.21
    n-hexane 2425.02
    ethylene glycol 306.81
    NMP 3267.69
    cyclohexane 3257.04
    DMSO 4929.59
    n-butyl acetate 6761.64
    n-octanol 1955.9
    chloroform 10146.69
    n-propyl acetate 5434.72
    acetic acid 4289.88
    dichloromethane 9228.37
    cyclohexanone 10641.29
    propylene glycol 984.33
    isopropyl acetate 5661.49
    DMAc 2865.98
    2-ethoxyethanol 3963.0
    isopentanol 6626.36
    n-heptane 879.51
    ethyl formate 3744.15
    1,2-dichloroethane 6341.98
    n-hexanol 5042.26
    2-methoxyethanol 6029.24
    isobutyl acetate 2973.72
    tetrachloromethane 1748.95
    n-pentyl acetate 3600.73
    transcutol 10274.34
    n-heptanol 1868.98
    ethylbenzene 1333.75
    MIBK 3916.17
    2-propoxyethanol 4846.7
    tert-butanol 9926.22
    MTBE 9531.53
    2-butoxyethanol 2662.01
    propionic acid 3307.84
    o-xylene 1228.83
    formic acid 633.71
    diethyl ether 10263.3
    m-xylene 1421.25
    p-xylene 1938.51
    chlorobenzene 3077.07
    dimethyl carbonate 616.48
    n-octane 306.28
    formamide 972.04
    cyclopentanone 6899.72
    2-pentanone 7603.1
    anisole 2071.55
    cyclopentyl methyl ether 6151.97
    gamma-butyrolactone 5970.61
    1-methoxy-2-propanol 4676.15
    pyridine 6072.64
    3-pentanone 3588.83
    furfural 3813.91
    n-dodecane 152.51
    diethylene glycol 1716.61
    diisopropyl ether 2845.29
    tert-amyl alcohol 7235.48
    acetylacetone 5036.24
    n-hexadecane 185.1
    acetophenone 1775.18
    methyl propionate 3480.62
    isopentyl acetate 5688.54
    trichloroethylene 9303.99
    n-nonanol 1570.24
    cyclohexanol 6928.94
    benzyl alcohol 1713.61
    2-ethylhexanol 2996.06
    isooctanol 1553.54
    dipropyl ether 4376.11
    1,2-dichlorobenzene 2342.05
    ethyl lactate 1109.29
    propylene carbonate 3646.43
    n-methylformamide 2451.34
    2-pentanol 6052.89
    n-pentane 1386.47
    1-propoxy-2-propanol 4340.55
    1-methoxy-2-propyl acetate 3623.42
    2-(2-methoxypropoxy) propanol 1684.12
    mesitylene 967.0
    ε-caprolactone 7526.1
    p-cymene 867.57
    epichlorohydrin 7398.35
    1,1,1-trichloroethane 6677.7
    2-aminoethanol 1427.87
    morpholine-4-carbaldehyde 3859.09
    sulfolane 4745.91
    2,2,4-trimethylpentane 505.56
    2-methyltetrahydrofuran 11558.92
    n-hexyl acetate 4431.52
    isooctane 444.94
    2-(2-butoxyethoxy)ethanol 2780.36
    sec-butyl acetate 3755.08
    tert-butyl acetate 4773.22
    decalin 788.12
    glycerin 801.0
    diglyme 5084.1
    acrylic acid 1609.8
    isopropyl myristate 1197.89
    n-butyric acid 8287.71
    acetyl acetate 3270.47
    di(2-ethylhexyl) phthalate 821.11
    ethyl propionate 3601.88
    nitromethane 5338.85
    1,2-diethoxyethane 5451.05
    benzonitrile 2941.5
    trioctyl phosphate 674.54
    1-bromopropane 5919.03
    gamma-valerolactone 8573.6
    n-decanol 982.74
    triethyl phosphate 874.0
    4-methyl-2-pentanol 2705.16
    propionitrile 4576.36
    vinylene carbonate 2684.91
    1,1,2-trichlorotrifluoroethane 3422.98
    DMS 1536.37
    cumene 872.82
    2-octanol 1609.82
    2-hexanone 5542.89
    octyl acetate 1436.2
    limonene 1797.46
    1,2-dimethoxyethane 7564.98
    ethyl orthosilicate 986.98
    tributyl phosphate 927.87
    diacetone alcohol 3673.31
    N,N-dimethylaniline 1178.47
    acrylonitrile 3439.4
    aniline 2636.58
    1,3-propanediol 3168.76
    bromobenzene 3290.53
    dibromomethane 7303.32
    1,1,2,2-tetrachloroethane 7778.27
    2-methyl-cyclohexyl acetate 2132.66
    tetrabutyl urea 1078.52
    diisobutyl methanol 1531.47
    2-phenylethanol 1842.49
    styrene 1721.6
    dioctyl adipate 1490.95
    dimethyl sulfate 788.5
    ethyl butyrate 4036.79
    methyl lactate 970.88
    butyl lactate 1902.36
    diethyl carbonate 1751.47
    propanediol butyl ether 2108.86
    triethyl orthoformate 2120.26
    p-tert-butyltoluene 815.17
    methyl 4-tert-butylbenzoate 1399.87
    morpholine 12523.15
    tert-butylamine 6616.74
    n-dodecanol 678.21
    dimethoxymethane 3392.21
    ethylene carbonate 3006.09
    cyrene 1187.54
    2-ethoxyethyl acetate 3253.24
    2-ethylhexyl acetate 4051.93
    1,2,4-trichlorobenzene 2526.53
    4-methylpyridine 6177.9
    dibutyl ether 3960.24
    2,6-dimethyl-4-heptanol 1531.47
    DEF 5176.33
    dimethyl isosorbide 2556.22
    tetrachloroethylene 4958.31
    eugenol 1278.06
    triacetin 2116.43
    span 80 1893.77
    1,4-butanediol 1074.45
    1,1-dichloroethane 8282.93
    2-methyl-1-pentanol 4006.66
    methyl formate 1462.05
    2-methyl-1-butanol 5478.26
    n-decane 358.78
    butyronitrile 7725.44
    3,7-dimethyl-1-octanol 1901.69
    1-chlorooctane 1503.21
    1-chlorotetradecane 445.68
    n-nonane 411.51
    undecane 218.62
    tert-butylcyclohexane 715.1
    cyclooctane 686.73
    cyclopentanol 5612.95
    tetrahydropyran 15767.55
    tert-amyl methyl ether 4804.93
    2,5,8-trioxanonane 2626.12
    1-hexene 6367.29
    2-isopropoxyethanol 2914.28
    2,2,2-trifluoroethanol 726.85
    methyl butyrate 5626.61

    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