alpha,gamma,gamma-Trimethylcyclohexylpropyl acetate

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  • Identifiers

    CAS number
    93917-67-0

    Molecular formula
    C14H26O2

    SMILES
    CC(=O)OCCCC1(CCCC(C1)(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 82.18%
    Woody 70.27%
    Floral 66.91%
    Sweet 52.94%
    Berry 40.29%
    Rose 38.05%
    Green 37.62%
    Dry 35.7%
    Powdery 35.27%
    Amber 33.94%

     

    Flavor
    Sweet 60.68%
    Woody 53.3%
    Herbal 42.72%
    Camphor 35.06%
    Pine 33.99%
    Earthy 33.96%
    Green 33.17%
    Dry 32.09%
    Citrus 30.91%
    Balsam 30.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    8.6 (weak base)

    Molecular weight
    226.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    268°C

    Flash point

    • 128.1 ˚C est.

  • Synonyms

    • alpha,gamma,gamma-Trimethylcyclohexylpropyl acetate
    • 93917-67-0
    • EINECS 299-845-8
    • RefChem:111023
    • 299-845-8
    • OBDOVENLEYUNNC-UHFFFAOYSA-N
    • 93917-67-0

  • Applications

    alpha,gamma,gamma-Trimethylcyclohexylpropyl acetate, CAS 93917-67-0, is recognized as a fragrance ingredient and may be used in formulations to contribute aroma or as a fixative; typical applications include perfumery/fragrance as a fragrance raw material and potential fixative due to its bulky structure, cosmetics/personal care as a scent ingredient or solvent in cosmetic products, household products such as fragrance additives in cleaners and laundry products, industrial manufacturing as an intermediate in the synthesis of fragrance-related compounds, and coatings/inks as a fragrance component in specialty coatings or printed materials; all uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1530.67
    methanol 1483.38
    isopropanol 1229.16
    water 0.97
    ethyl acetate 1561.29
    n-propanol 1464.92
    acetone 1682.99
    n-butanol 1340.75
    acetonitrile 995.33
    DMF 2026.61
    toluene 1034.95
    isobutanol 1110.76
    1,4-dioxane 1545.96
    methyl acetate 1175.24
    THF 2752.65
    2-butanone 1500.33
    n-pentanol 736.11
    sec-butanol 1128.2
    n-hexane 251.68
    ethylene glycol 224.92
    NMP 1537.81
    cyclohexane 298.49
    DMSO 1344.49
    n-butyl acetate 999.4
    n-octanol 406.84
    chloroform 2844.67
    n-propyl acetate 829.89
    acetic acid 1022.83
    dichloromethane 1989.05
    cyclohexanone 1819.08
    propylene glycol 446.3
    isopropyl acetate 1274.51
    DMAc 1655.38
    2-ethoxyethanol 949.66
    isopentanol 1129.01
    n-heptane 93.09
    ethyl formate 704.37
    1,2-dichloroethane 1569.16
    n-hexanol 986.67
    2-methoxyethanol 1538.82
    isobutyl acetate 627.24
    tetrachloromethane 544.87
    n-pentyl acetate 594.93
    transcutol 3510.31
    n-heptanol 378.02
    ethylbenzene 435.47
    MIBK 1017.26
    2-propoxyethanol 1436.72
    tert-butanol 1476.25
    MTBE 1943.69
    2-butoxyethanol 719.9
    propionic acid 969.27
    o-xylene 549.15
    formic acid 407.61
    diethyl ether 1694.42
    m-xylene 748.82
    p-xylene 491.5
    chlorobenzene 1045.26
    dimethyl carbonate 535.84
    n-octane 33.85
    formamide 475.43
    cyclopentanone 1881.99
    2-pentanone 1506.24
    anisole 816.95
    cyclopentyl methyl ether 1863.86
    gamma-butyrolactone 1749.12
    1-methoxy-2-propanol 1439.54
    pyridine 1266.72
    3-pentanone 1162.83
    furfural 1340.81
    n-dodecane 19.09
    diethylene glycol 777.59
    diisopropyl ether 628.45
    tert-amyl alcohol 1361.37
    acetylacetone 1391.0
    n-hexadecane 23.17
    acetophenone 671.01
    methyl propionate 1251.07
    isopentyl acetate 948.13
    trichloroethylene 2763.44
    n-nonanol 345.43
    cyclohexanol 1248.36
    benzyl alcohol 546.74
    2-ethylhexanol 545.27
    isooctanol 316.68
    dipropyl ether 699.55
    1,2-dichlorobenzene 860.86
    ethyl lactate 390.18
    propylene carbonate 1044.68
    n-methylformamide 1067.59
    2-pentanol 996.47
    n-pentane 202.81
    1-propoxy-2-propanol 1056.53
    1-methoxy-2-propyl acetate 1162.2
    2-(2-methoxypropoxy) propanol 657.85
    mesitylene 426.84
    ε-caprolactone 1537.17
    p-cymene 240.03
    epichlorohydrin 2143.6
    1,1,1-trichloroethane 1766.98
    2-aminoethanol 650.62
    morpholine-4-carbaldehyde 1612.09
    sulfolane 1868.84
    2,2,4-trimethylpentane 109.67
    2-methyltetrahydrofuran 2244.14
    n-hexyl acetate 904.63
    isooctane 88.97
    2-(2-butoxyethoxy)ethanol 1008.62
    sec-butyl acetate 719.23
    tert-butyl acetate 1437.6
    decalin 133.91
    glycerin 505.27
    diglyme 1670.15
    acrylic acid 700.79
    isopropyl myristate 282.4
    n-butyric acid 1416.1
    acetyl acetate 906.88
    di(2-ethylhexyl) phthalate 277.87
    ethyl propionate 805.14
    nitromethane 1463.1
    1,2-diethoxyethane 1072.94
    benzonitrile 711.9
    trioctyl phosphate 211.92
    1-bromopropane 1230.08
    gamma-valerolactone 2181.01
    n-decanol 230.21
    triethyl phosphate 293.8
    4-methyl-2-pentanol 565.63
    propionitrile 1029.79
    vinylene carbonate 889.81
    1,1,2-trichlorotrifluoroethane 1461.53
    DMS 718.36
    cumene 294.03
    2-octanol 261.95
    2-hexanone 865.91
    octyl acetate 381.1
    limonene 382.03
    1,2-dimethoxyethane 1369.39
    ethyl orthosilicate 312.48
    tributyl phosphate 301.84
    diacetone alcohol 1185.3
    N,N-dimethylaniline 536.95
    acrylonitrile 962.7
    aniline 1073.77
    1,3-propanediol 797.24
    bromobenzene 1101.76
    dibromomethane 1542.61
    1,1,2,2-tetrachloroethane 2334.08
    2-methyl-cyclohexyl acetate 532.93
    tetrabutyl urea 330.77
    diisobutyl methanol 288.95
    2-phenylethanol 627.97
    styrene 517.31
    dioctyl adipate 392.83
    dimethyl sulfate 791.69
    ethyl butyrate 635.37
    methyl lactate 570.59
    butyl lactate 539.21
    diethyl carbonate 395.31
    propanediol butyl ether 739.94
    triethyl orthoformate 491.02
    p-tert-butyltoluene 250.78
    methyl 4-tert-butylbenzoate 594.15
    morpholine 2145.1
    tert-butylamine 1065.71
    n-dodecanol 156.98
    dimethoxymethane 1541.97
    ethylene carbonate 847.78
    cyrene 486.4
    2-ethoxyethyl acetate 845.29
    2-ethylhexyl acetate 771.47
    1,2,4-trichlorobenzene 1004.85
    4-methylpyridine 1668.2
    dibutyl ether 552.63
    2,6-dimethyl-4-heptanol 288.95
    DEF 1385.86
    dimethyl isosorbide 953.59
    tetrachloroethylene 1432.07
    eugenol 486.49
    triacetin 776.89
    span 80 569.32
    1,4-butanediol 320.29
    1,1-dichloroethane 1773.91
    2-methyl-1-pentanol 673.53
    methyl formate 718.87
    2-methyl-1-butanol 1162.49
    n-decane 44.66
    butyronitrile 1108.98
    3,7-dimethyl-1-octanol 442.83
    1-chlorooctane 277.35
    1-chlorotetradecane 75.56
    n-nonane 46.47
    undecane 27.44
    tert-butylcyclohexane 137.18
    cyclooctane 106.64
    cyclopentanol 1056.97
    tetrahydropyran 2221.55
    tert-amyl methyl ether 1438.86
    2,5,8-trioxanonane 924.98
    1-hexene 722.26
    2-isopropoxyethanol 728.51
    2,2,2-trifluoroethanol 467.96
    methyl butyrate 961.82

    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