Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethenyl)cyclohexyl ester

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  • Identifiers

    CAS number
    71477-80-0

    Molecular formula
    C15H26O2

    SMILES
    CC1CCC(C(C1)OC(=O)CC(C)C)C(=C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 81.53%
    Herbal 80.58%
    Mint 70.9%
    Sweet 62.99%
    Floral 52.25%
    Cooling 46.3%
    Woody 43.27%
    Spicy 41.51%
    Rose 41.02%
    Fresh 39.9%

     

    Flavor
    Herbal 41.65%
    Fruity 40.85%
    Minty 38.09%
    Tropical 33.78%
    Sweet 33.0%
    Floral 30.27%
    Woody 30.1%
    Mint 29.57%
    Fresh 26.09%
    Berry 25.76%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    7.6 (neutral)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    274°C

    Flash point

    • 111.86 ˚C est.

  • Synonyms

    • p-Menth-8-en-3-ol isovalerate
    • 5-Methyl-2-isopropenylcyclohexyl isovalerate
    • 71477-80-0
    • DTXSID70887901
    • Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethenyl)cyclohexyl ester
    • RefChem:571436
    • DTXCID901027183
    • DDDQJEKRFARGEE-UHFFFAOYSA-N
    • 5-METHYL-2-(PROP-1-EN-2-YL)CYCLOHEXYL 3-METHYLBUTANOATE
    • 71477-80-0

  • Applications

    CAS 71477-80-0 and Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethenyl)cyclohexyl ester is an ester of butanoic acid with a cyclohexyl alcohol bearing an isopropenyl group and two methyl substituents, commonly used as an intermediate in fragrance chemistry and as a fragrance ingredient and fixative in perfumery. In cosmetics and personal care, it can serve as a scent component in creams and lotions. In household products, such as detergents and air fresheners, it helps impart a lasting aroma. In coatings, inks, and cleaning formulations, it is used as a fragrance additive or odor-masking agent. In industrial manufacturing, it can act as an intermediate in fragrance synthesis or as a fragrance carrier in formulations, and may be evaluated for inclusion in polymer formulations as a fragrance-related additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6836.25
    methanol 6414.34
    isopropanol 7428.68
    water 1.89
    ethyl acetate 3215.1
    n-propanol 4667.08
    acetone 4382.53
    n-butanol 4603.06
    acetonitrile 2786.53
    DMF 3407.47
    toluene 1471.59
    isobutanol 3942.44
    1,4-dioxane 5682.04
    methyl acetate 1953.03
    THF 8309.49
    2-butanone 2834.15
    n-pentanol 2569.14
    sec-butanol 4496.11
    n-hexane 542.31
    ethylene glycol 458.57
    NMP 2658.9
    cyclohexane 1143.06
    DMSO 2729.08
    n-butyl acetate 3104.11
    n-octanol 1298.35
    chloroform 7895.6
    n-propyl acetate 1697.08
    acetic acid 4132.29
    dichloromethane 5826.32
    cyclohexanone 5215.38
    propylene glycol 1236.11
    isopropyl acetate 2351.38
    DMAc 1910.95
    2-ethoxyethanol 1821.77
    isopentanol 4099.28
    n-heptane 280.76
    ethyl formate 1908.64
    1,2-dichloroethane 3678.8
    n-hexanol 3564.73
    2-methoxyethanol 3788.38
    isobutyl acetate 1195.48
    tetrachloromethane 1023.14
    n-pentyl acetate 1531.64
    transcutol 6523.21
    n-heptanol 1149.18
    ethylbenzene 760.85
    MIBK 1899.48
    2-propoxyethanol 3351.89
    tert-butanol 6505.04
    MTBE 3986.7
    2-butoxyethanol 1573.54
    propionic acid 2210.31
    o-xylene 799.95
    formic acid 943.99
    diethyl ether 3422.03
    m-xylene 1017.64
    p-xylene 1064.14
    chlorobenzene 2298.3
    dimethyl carbonate 561.8
    n-octane 111.99
    formamide 1032.34
    cyclopentanone 4267.74
    2-pentanone 2746.93
    anisole 1291.73
    cyclopentyl methyl ether 3103.45
    gamma-butyrolactone 4104.31
    1-methoxy-2-propanol 3391.55
    pyridine 3501.73
    3-pentanone 1444.36
    furfural 2895.11
    n-dodecane 86.54
    diethylene glycol 1713.55
    diisopropyl ether 1158.03
    tert-amyl alcohol 3985.98
    acetylacetone 2511.14
    n-hexadecane 103.26
    acetophenone 1060.43
    methyl propionate 1613.49
    isopentyl acetate 2818.38
    trichloroethylene 6359.11
    n-nonanol 1043.01
    cyclohexanol 4275.09
    benzyl alcohol 1254.45
    2-ethylhexanol 1588.74
    isooctanol 945.56
    dipropyl ether 1532.43
    1,2-dichlorobenzene 1656.22
    ethyl lactate 598.45
    propylene carbonate 2631.72
    n-methylformamide 1674.59
    2-pentanol 3372.94
    n-pentane 497.04
    1-propoxy-2-propanol 2688.48
    1-methoxy-2-propyl acetate 2089.73
    2-(2-methoxypropoxy) propanol 1256.84
    mesitylene 655.03
    ε-caprolactone 3788.15
    p-cymene 538.14
    epichlorohydrin 4822.91
    1,1,1-trichloroethane 3778.35
    2-aminoethanol 1410.27
    morpholine-4-carbaldehyde 2889.94
    sulfolane 3204.21
    2,2,4-trimethylpentane 228.24
    2-methyltetrahydrofuran 5887.24
    n-hexyl acetate 2288.18
    isooctane 221.05
    2-(2-butoxyethoxy)ethanol 2104.76
    sec-butyl acetate 1242.07
    tert-butyl acetate 2233.02
    decalin 318.32
    glycerin 1118.25
    diglyme 3146.92
    acrylic acid 1437.53
    isopropyl myristate 735.39
    n-butyric acid 4736.42
    acetyl acetate 1706.84
    di(2-ethylhexyl) phthalate 632.43
    ethyl propionate 1242.57
    nitromethane 3595.78
    1,2-diethoxyethane 2485.68
    benzonitrile 1837.72
    trioctyl phosphate 479.51
    1-bromopropane 2560.28
    gamma-valerolactone 5021.68
    n-decanol 705.56
    triethyl phosphate 473.76
    4-methyl-2-pentanol 1704.94
    propionitrile 2172.89
    vinylene carbonate 2130.78
    1,1,2-trichlorotrifluoroethane 2585.92
    DMS 1023.68
    cumene 537.25
    2-octanol 942.24
    2-hexanone 1834.09
    octyl acetate 967.71
    limonene 960.35
    1,2-dimethoxyethane 3299.09
    ethyl orthosilicate 508.22
    tributyl phosphate 632.98
    diacetone alcohol 2284.59
    N,N-dimethylaniline 778.99
    acrylonitrile 1842.19
    aniline 1953.74
    1,3-propanediol 2856.06
    bromobenzene 2356.41
    dibromomethane 4304.72
    1,1,2,2-tetrachloroethane 5452.0
    2-methyl-cyclohexyl acetate 1119.6
    tetrabutyl urea 722.93
    diisobutyl methanol 875.82
    2-phenylethanol 1583.23
    styrene 931.78
    dioctyl adipate 915.62
    dimethyl sulfate 692.18
    ethyl butyrate 1487.21
    methyl lactate 770.53
    butyl lactate 1133.29
    diethyl carbonate 837.77
    propanediol butyl ether 1695.08
    triethyl orthoformate 964.82
    p-tert-butyltoluene 509.56
    methyl 4-tert-butylbenzoate 1038.54
    morpholine 7157.26
    tert-butylamine 3847.52
    n-dodecanol 509.48
    dimethoxymethane 2129.7
    ethylene carbonate 2105.59
    cyrene 889.5
    2-ethoxyethyl acetate 1684.0
    2-ethylhexyl acetate 1983.05
    1,2,4-trichlorobenzene 1889.71
    4-methylpyridine 3804.9
    dibutyl ether 1570.9
    2,6-dimethyl-4-heptanol 875.82
    DEF 2306.24
    dimethyl isosorbide 2039.91
    tetrachloroethylene 3189.65
    eugenol 988.78
    triacetin 1237.24
    span 80 1420.22
    1,4-butanediol 862.94
    1,1-dichloroethane 4616.87
    2-methyl-1-pentanol 2232.7
    methyl formate 1284.49
    2-methyl-1-butanol 3264.94
    n-decane 165.93
    butyronitrile 3529.01
    3,7-dimethyl-1-octanol 1305.22
    1-chlorooctane 789.14
    1-chlorotetradecane 269.05
    n-nonane 173.13
    undecane 114.1
    tert-butylcyclohexane 286.81
    cyclooctane 257.29
    cyclopentanol 3685.43
    tetrahydropyran 7326.0
    tert-amyl methyl ether 1999.06
    2,5,8-trioxanonane 1880.75
    1-hexene 1597.42
    2-isopropoxyethanol 1339.68
    2,2,2-trifluoroethanol 865.64
    methyl butyrate 1871.05

    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