Hexanoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1alpha,2beta,5alpha)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6070-16-2

    Molecular formula
    C16H30O2

    SMILES
    CCCCCC(=O)OC1CC(CCC1C(C)C)C

  • Odor profile

    Fragrance
    Herbal 83.76%
    Fruity 80.46%
    Mint 73.21%
    Sweet 63.57%
    Floral 58.33%
    Cooling 45.5%
    Fresh 42.0%
    Woody 40.48%
    Balsamic 36.81%
    Spicy 32.04%

     

    Flavor
    Fruity 45.85%
    Herbal 41.14%
    Green 39.94%
    Oily 35.37%
    Tropical 32.23%
    Waxy 28.97%
    Minty 27.82%
    Fresh 26.19%
    Sweet 25.22%
    Herb 24.8%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    7.42 (neutral)

    Molecular weight
    254.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    294°C

    Flash point

    • 119.51 ˚C est.

  • Synonyms

    • Menthyl hexanoate
    • (5-methyl-2-propan-2-ylcyclohexyl) hexanoate
    • 6070-16-2
    • (1beta,2alpha,4alpha)-p-Menth-2-yl hexanoate
    • Hexanoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1alpha,2beta,5alpha)-
    • SCHEMBL115196
    • DTXSID70863689
    • VDXDHXCHHMIDPX-UHFFFAOYSA-N
    • EINECS 228-007-6
    • NS00044967
    • 5-Methyl-2-(propan-2-yl)cyclohexyl hexanoate
    • Hexanoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1.alpha.,2.beta.,5.alpha.)-

  • Applications

    Hexanoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1alpha,2beta,5alpha)- (CAS 6070-16-2) is used primarily as a fragrance ingredient and fixative in perfumery, providing woody and spicy notes from its bulky cyclohexyl ester structure; in cosmetics and personal care it can serve as a scent component in formulations. It may also find use in coatings and inks as a fragrance additive or processing aid, and in polymers and plastics as a secondary plasticizer or performance modifier to influence texture and viscosity. In industrial manufacturing, it can be evaluated as an intermediate or precursor in organic synthesis for specialty chemicals and formulation ingredients, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6635.78
    methanol 5243.33
    isopropanol 6405.73
    water 0.59
    ethyl acetate 6343.57
    n-propanol 5060.01
    acetone 7699.38
    n-butanol 4753.95
    acetonitrile 4313.79
    DMF 3977.32
    toluene 2621.47
    isobutanol 4119.28
    1,4-dioxane 7428.18
    methyl acetate 3556.02
    THF 10493.45
    2-butanone 5143.81
    n-pentanol 2524.16
    sec-butanol 4412.8
    n-hexane 909.33
    ethylene glycol 239.34
    NMP 3703.86
    cyclohexane 2482.85
    DMSO 3364.47
    n-butyl acetate 5760.0
    n-octanol 1322.66
    chloroform 10764.21
    n-propyl acetate 3297.61
    acetic acid 3405.6
    dichloromethane 9751.15
    cyclohexanone 8947.47
    propylene glycol 617.09
    isopropyl acetate 4454.53
    DMAc 2728.66
    2-ethoxyethanol 2061.0
    isopentanol 4120.26
    n-heptane 510.94
    ethyl formate 2918.7
    1,2-dichloroethane 6427.39
    n-hexanol 3379.95
    2-methoxyethanol 3578.79
    isobutyl acetate 2164.49
    tetrachloromethane 1715.86
    n-pentyl acetate 3021.27
    transcutol 7144.61
    n-heptanol 1307.29
    ethylbenzene 1211.72
    MIBK 2993.98
    2-propoxyethanol 3406.04
    tert-butanol 5583.93
    MTBE 5964.7
    2-butoxyethanol 1977.87
    propionic acid 2518.5
    o-xylene 1323.3
    formic acid 557.73
    diethyl ether 6553.11
    m-xylene 1481.75
    p-xylene 1835.22
    chlorobenzene 3883.43
    dimethyl carbonate 761.66
    n-octane 200.79
    formamide 882.37
    cyclopentanone 6601.08
    2-pentanone 5119.98
    anisole 1867.59
    cyclopentyl methyl ether 4698.08
    gamma-butyrolactone 6202.19
    1-methoxy-2-propanol 2997.62
    pyridine 6192.24
    3-pentanone 2820.28
    furfural 3797.79
    n-dodecane 133.52
    diethylene glycol 1359.26
    diisopropyl ether 1980.74
    tert-amyl alcohol 3836.27
    acetylacetone 4347.81
    n-hexadecane 164.23
    acetophenone 1623.71
    methyl propionate 2797.45
    isopentyl acetate 5037.45
    trichloroethylene 9669.73
    n-nonanol 1105.75
    cyclohexanol 4703.47
    benzyl alcohol 1395.92
    2-ethylhexanol 1967.58
    isooctanol 1096.15
    dipropyl ether 2668.12
    1,2-dichlorobenzene 2679.53
    ethyl lactate 768.23
    propylene carbonate 3871.64
    n-methylformamide 1994.47
    2-pentanol 3473.08
    n-pentane 786.93
    1-propoxy-2-propanol 2990.0
    1-methoxy-2-propyl acetate 3019.1
    2-(2-methoxypropoxy) propanol 1320.02
    mesitylene 1000.27
    ε-caprolactone 6661.22
    p-cymene 814.12
    epichlorohydrin 6793.32
    1,1,1-trichloroethane 6326.99
    2-aminoethanol 938.15
    morpholine-4-carbaldehyde 3591.01
    sulfolane 4562.58
    2,2,4-trimethylpentane 345.78
    2-methyltetrahydrofuran 8559.37
    n-hexyl acetate 3763.29
    isooctane 295.84
    2-(2-butoxyethoxy)ethanol 2155.72
    sec-butyl acetate 2490.87
    tert-butyl acetate 3481.37
    decalin 593.9
    glycerin 614.31
    diglyme 3907.48
    acrylic acid 1483.52
    isopropyl myristate 1085.58
    n-butyric acid 6047.02
    acetyl acetate 3052.64
    di(2-ethylhexyl) phthalate 789.03
    ethyl propionate 2416.59
    nitromethane 4481.53
    1,2-diethoxyethane 3896.97
    benzonitrile 2747.73
    trioctyl phosphate 629.76
    1-bromopropane 4819.04
    gamma-valerolactone 7420.99
    n-decanol 731.67
    triethyl phosphate 744.35
    4-methyl-2-pentanol 1699.8
    propionitrile 3305.7
    vinylene carbonate 2877.36
    1,1,2-trichlorotrifluoroethane 2915.82
    DMS 1650.56
    cumene 800.81
    2-octanol 1093.44
    2-hexanone 3028.02
    octyl acetate 1369.63
    limonene 1503.43
    1,2-dimethoxyethane 4372.07
    ethyl orthosilicate 793.02
    tributyl phosphate 825.99
    diacetone alcohol 2495.62
    N,N-dimethylaniline 1077.61
    acrylonitrile 2698.35
    aniline 2497.89
    1,3-propanediol 2145.46
    bromobenzene 4361.67
    dibromomethane 7129.98
    1,1,2,2-tetrachloroethane 7654.73
    2-methyl-cyclohexyl acetate 1749.97
    tetrabutyl urea 985.92
    diisobutyl methanol 1099.17
    2-phenylethanol 1704.51
    styrene 1584.41
    dioctyl adipate 1306.58
    dimethyl sulfate 929.28
    ethyl butyrate 3005.18
    methyl lactate 862.59
    butyl lactate 1631.02
    diethyl carbonate 1452.92
    propanediol butyl ether 1471.69
    triethyl orthoformate 1607.34
    p-tert-butyltoluene 740.88
    methyl 4-tert-butylbenzoate 1409.12
    morpholine 8936.71
    tert-butylamine 3910.37
    n-dodecanol 537.93
    dimethoxymethane 2687.2
    ethylene carbonate 3214.61
    cyrene 975.02
    2-ethoxyethyl acetate 3139.55
    2-ethylhexyl acetate 3504.79
    1,2,4-trichlorobenzene 3020.79
    4-methylpyridine 6154.78
    dibutyl ether 2482.48
    2,6-dimethyl-4-heptanol 1099.17
    DEF 3930.15
    dimethyl isosorbide 2251.31
    tetrachloroethylene 4751.28
    eugenol 1206.3
    triacetin 1857.23
    span 80 1481.4
    1,4-butanediol 647.71
    1,1-dichloroethane 7749.26
    2-methyl-1-pentanol 2176.39
    methyl formate 1369.28
    2-methyl-1-butanol 3417.26
    n-decane 274.18
    butyronitrile 5118.04
    3,7-dimethyl-1-octanol 1339.13
    1-chlorooctane 1165.92
    1-chlorotetradecane 393.35
    n-nonane 276.34
    undecane 180.86
    tert-butylcyclohexane 475.22
    cyclooctane 540.42
    cyclopentanol 4136.88
    tetrahydropyran 11530.73
    tert-amyl methyl ether 2965.14
    2,5,8-trioxanonane 2088.32
    1-hexene 2617.42
    2-isopropoxyethanol 1617.78
    2,2,2-trifluoroethanol 756.31
    methyl butyrate 3741.48

    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