(1alpha,2beta,5alpha)-2-Methyl-5-(1-methylvinyl)cyclohexyl formate

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  • Identifiers

    CAS number
    93892-04-7

    Molecular formula
    C11H18O2

    SMILES
    C[C@H]1CC[C@@H](C[C@@H]1OC=O)C(=C)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 74.76%
    Mint 71.25%
    Fruity 70.74%
    Green 70.07%
    Sweet 63.9%
    Fresh 50.76%
    Spicy 49.55%
    Woody 47.41%
    Cooling 44.14%
    Floral 42.51%

     

    Flavor
    Herbal 58.26%
    Green 54.0%
    Fresh 49.19%
    Minty 46.27%
    Mint 43.69%
    Spice 42.04%
    Spicy 39.87%
    Floral 34.97%
    Sweet 30.0%
    Herb 28.9%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.72 (weak base)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    228°C

    Flash point

    • 87.38 ˚C est.

  • Synonyms

    • 93892-04-7
    • EINECS 299-484-6
    • (1alpha,2beta,5alpha)-2-Methyl-5-(1-methylvinyl)cyclohexyl formate
    • Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, formate, (1alpha,2beta,5alpha)-
    • RefChem:204766
    • 299-484-6
    • Dihydro carvyl formate
    • ZCRWAIVGYMUKPX-DCAQKATOSA-N
    • NS00062986
    • 93892-04-7

  • Applications

    Chemical name: (1alpha,2beta,5alpha)-2-Methyl-5-(1-methylvinyl)cyclohexyl formate, CAS 93892-04-7, is used primarily as an aroma ingredient in perfumery and cosmetics, where it serves as an odorant and may function as a mild fixative to help preserve fragrance notes; it is commonly evaluated as an intermediate in the synthesis of fragrance molecules and related cyclohexyl esters for industrial manufacturing; in household products, air-freshening formulations, and cleaners it may contribute its scent profile at low concentrations; it is also encountered as a fragrance component in coatings and inks where odor control or aroma is desired, subject to formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1380.12
    methanol 1514.44
    isopropanol 1001.4
    water 0.53
    ethyl acetate 1058.09
    n-propanol 981.74
    acetone 898.02
    n-butanol 868.39
    acetonitrile 1047.74
    DMF 816.76
    toluene 523.12
    isobutanol 594.75
    1,4-dioxane 1770.52
    methyl acetate 830.09
    THF 1557.5
    2-butanone 916.03
    n-pentanol 461.68
    sec-butanol 642.78
    n-hexane 15.61
    ethylene glycol 130.92
    NMP 493.43
    cyclohexane 51.56
    DMSO 935.19
    n-butyl acetate 702.11
    n-octanol 126.68
    chloroform 2331.86
    n-propyl acetate 496.2
    acetic acid 677.17
    dichloromethane 2069.79
    cyclohexanone 1008.25
    propylene glycol 232.22
    isopropyl acetate 500.05
    DMAc 521.25
    2-ethoxyethanol 604.04
    isopentanol 669.07
    n-heptane 11.25
    ethyl formate 660.85
    1,2-dichloroethane 1207.12
    n-hexanol 510.5
    2-methoxyethanol 1150.45
    isobutyl acetate 266.64
    tetrachloromethane 231.07
    n-pentyl acetate 249.98
    transcutol 2186.4
    n-heptanol 147.91
    ethylbenzene 198.19
    MIBK 354.86
    2-propoxyethanol 763.99
    tert-butanol 895.99
    MTBE 552.68
    2-butoxyethanol 325.96
    propionic acid 545.88
    o-xylene 241.66
    formic acid 292.83
    diethyl ether 648.81
    m-xylene 292.22
    p-xylene 240.83
    chlorobenzene 641.54
    dimethyl carbonate 178.04
    n-octane 4.59
    formamide 491.82
    cyclopentanone 935.93
    2-pentanone 684.66
    anisole 453.15
    cyclopentyl methyl ether 520.76
    gamma-butyrolactone 1066.14
    1-methoxy-2-propanol 785.0
    pyridine 1447.42
    3-pentanone 371.46
    furfural 1034.71
    n-dodecane 4.26
    diethylene glycol 474.93
    diisopropyl ether 118.18
    tert-amyl alcohol 550.59
    acetylacetone 603.79
    n-hexadecane 5.21
    acetophenone 366.14
    methyl propionate 531.1
    isopentyl acetate 555.18
    trichloroethylene 2266.53
    n-nonanol 107.01
    cyclohexanol 555.06
    benzyl alcohol 421.16
    2-ethylhexanol 240.3
    isooctanol 125.58
    dipropyl ether 203.33
    1,2-dichlorobenzene 476.66
    ethyl lactate 186.34
    propylene carbonate 611.11
    n-methylformamide 661.36
    2-pentanol 452.77
    n-pentane 20.28
    1-propoxy-2-propanol 539.96
    1-methoxy-2-propyl acetate 553.46
    2-(2-methoxypropoxy) propanol 309.64
    mesitylene 146.25
    ε-caprolactone 849.96
    p-cymene 109.59
    epichlorohydrin 1577.89
    1,1,1-trichloroethane 957.24
    2-aminoethanol 380.97
    morpholine-4-carbaldehyde 808.0
    sulfolane 758.48
    2,2,4-trimethylpentane 14.47
    2-methyltetrahydrofuran 1158.81
    n-hexyl acetate 313.51
    isooctane 14.72
    2-(2-butoxyethoxy)ethanol 485.13
    sec-butyl acetate 304.37
    tert-butyl acetate 408.09
    decalin 23.5
    glycerin 260.28
    diglyme 931.85
    acrylic acid 391.12
    isopropyl myristate 96.29
    n-butyric acid 925.2
    acetyl acetate 435.23
    di(2-ethylhexyl) phthalate 122.52
    ethyl propionate 357.89
    nitromethane 1153.99
    1,2-diethoxyethane 587.47
    benzonitrile 637.61
    trioctyl phosphate 75.58
    1-bromopropane 584.99
    gamma-valerolactone 1341.34
    n-decanol 75.03
    triethyl phosphate 125.03
    4-methyl-2-pentanol 226.61
    propionitrile 740.19
    vinylene carbonate 573.0
    1,1,2-trichlorotrifluoroethane 732.55
    DMS 272.18
    cumene 117.03
    2-octanol 89.28
    2-hexanone 444.65
    octyl acetate 125.08
    limonene 144.33
    1,2-dimethoxyethane 952.84
    ethyl orthosilicate 123.52
    tributyl phosphate 106.43
    diacetone alcohol 456.8
    N,N-dimethylaniline 226.2
    acrylonitrile 883.87
    aniline 674.78
    1,3-propanediol 677.42
    bromobenzene 647.64
    dibromomethane 1247.7
    1,1,2,2-tetrachloroethane 1501.69
    2-methyl-cyclohexyl acetate 224.38
    tetrabutyl urea 120.67
    diisobutyl methanol 124.09
    2-phenylethanol 413.93
    styrene 271.36
    dioctyl adipate 154.48
    dimethyl sulfate 214.94
    ethyl butyrate 369.96
    methyl lactate 227.66
    butyl lactate 224.98
    diethyl carbonate 234.04
    propanediol butyl ether 312.89
    triethyl orthoformate 216.44
    p-tert-butyltoluene 104.54
    methyl 4-tert-butylbenzoate 243.48
    morpholine 2117.45
    tert-butylamine 474.04
    n-dodecanol 52.62
    dimethoxymethane 573.38
    ethylene carbonate 509.21
    cyrene 246.77
    2-ethoxyethyl acetate 412.81
    2-ethylhexyl acetate 383.61
    1,2,4-trichlorobenzene 548.63
    4-methylpyridine 1144.01
    dibutyl ether 152.7
    2,6-dimethyl-4-heptanol 124.09
    DEF 579.62
    dimethyl isosorbide 484.31
    tetrachloroethylene 893.01
    eugenol 257.79
    triacetin 283.87
    span 80 247.58
    1,4-butanediol 195.95
    1,1-dichloroethane 1255.51
    2-methyl-1-pentanol 382.57
    methyl formate 448.71
    2-methyl-1-butanol 505.76
    n-decane 7.51
    butyronitrile 860.15
    3,7-dimethyl-1-octanol 173.41
    1-chlorooctane 65.96
    1-chlorotetradecane 21.36
    n-nonane 6.49
    undecane 5.44
    tert-butylcyclohexane 22.94
    cyclooctane 12.83
    cyclopentanol 543.96
    tetrahydropyran 1451.43
    tert-amyl methyl ether 299.03
    2,5,8-trioxanonane 534.37
    1-hexene 128.86
    2-isopropoxyethanol 376.13
    2,2,2-trifluoroethanol 171.7
    methyl butyrate 547.01

    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