3-Cyclohexene-1-methanol, 3,5-dimethyl-, 1-acetate

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  • Identifiers

    CAS number
    67634-25-7

    Molecular formula
    C11H18O2

    SMILES
    CC1CC(CC(=C1)C)COC(=O)C

  • Odor profile

    Fragrance
    Floral 81.23%
    Green 76.63%
    Herbal 49.95%
    Fresh 47.83%
    Citrus 41.79%
    Leafy 39.36%
    Woody 35.29%
    Lily 32.8%
    Natural 32.71%
    Rose 31.38%

     

    Flavor
    Fruity 73.79%
    Sweet 61.83%
    Herbal 43.64%
    Spicy 41.08%
    Raspberry 35.14%
    Fruit 34.74%
    Tropical 34.02%
    Floral 33.42%
    Minty 32.46%
    Mint 30.97%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.65 (weak base)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    228°C

    Flash point

    • 106.54 ˚C est.

  • Synonyms

    • 3,5-Dimethylcyclohex-3-ene-1-methyl acetate
    • 67634-25-7
    • 3-Cyclohexene-1-methanol, 3,5-dimethyl-, acetate
    • EINECS 266-830-2
    • (3,5-dimethylcyclohex-3-en-1-yl)methyl acetate
    • DTXSID7052363
    • 3-Cyclohexene-1-methanol, 3,5-dimethyl-, 1-acetate
    • SCHEMBL1472554
    • DTXCID7030935
    • UBKMAHYFGPIVKA-UHFFFAOYSA-N
    • NS00012284
    • 266-830-2

  • Applications

    3-Cyclohexene-1-methanol, 3,5-dimethyl-, 1-acetate (CAS 67634-25-7) is used as a fragrance intermediate and odorant in perfumery, and may be incorporated into cosmetics and personal-care formulations as an aroma component; as an organic intermediate, it serves as a precursor for the synthesis of other fragrance-related materials and specialty chemicals, and may act as a building block for coatings and ink formulations where ester functionality and a cyclohexene moiety provide advantageous properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1468.43
    methanol 1715.15
    isopropanol 964.78
    water 4.93
    ethyl acetate 753.28
    n-propanol 1132.99
    acetone 1227.9
    n-butanol 1027.36
    acetonitrile 781.59
    DMF 1541.46
    toluene 531.87
    isobutanol 784.86
    1,4-dioxane 1497.63
    methyl acetate 691.73
    THF 1528.73
    2-butanone 877.8
    n-pentanol 631.12
    sec-butanol 816.37
    n-hexane 136.99
    ethylene glycol 371.83
    NMP 1028.21
    cyclohexane 126.52
    DMSO 1137.73
    n-butyl acetate 474.83
    n-octanol 195.63
    chloroform 1881.31
    n-propyl acetate 347.5
    acetic acid 1234.81
    dichloromethane 1233.67
    cyclohexanone 903.59
    propylene glycol 497.18
    isopropyl acetate 494.55
    DMAc 1264.55
    2-ethoxyethanol 864.33
    isopentanol 888.11
    n-heptane 27.95
    ethyl formate 475.47
    1,2-dichloroethane 959.39
    n-hexanol 645.2
    2-methoxyethanol 1437.14
    isobutyl acetate 242.54
    tetrachloromethane 299.03
    n-pentyl acetate 234.12
    transcutol 2688.44
    n-heptanol 201.45
    ethylbenzene 210.84
    MIBK 462.65
    2-propoxyethanol 1016.54
    tert-butanol 1150.41
    MTBE 1020.32
    2-butoxyethanol 422.04
    propionic acid 761.59
    o-xylene 261.44
    formic acid 633.56
    diethyl ether 980.92
    m-xylene 336.6
    p-xylene 221.22
    chlorobenzene 558.93
    dimethyl carbonate 258.54
    n-octane 10.33
    formamide 651.08
    cyclopentanone 928.19
    2-pentanone 759.59
    anisole 452.28
    cyclopentyl methyl ether 796.02
    gamma-butyrolactone 898.13
    1-methoxy-2-propanol 998.49
    pyridine 966.8
    3-pentanone 542.23
    furfural 862.82
    n-dodecane 7.36
    diethylene glycol 798.22
    diisopropyl ether 246.42
    tert-amyl alcohol 869.28
    acetylacetone 632.38
    n-hexadecane 8.84
    acetophenone 333.42
    methyl propionate 547.5
    isopentyl acetate 442.2
    trichloroethylene 1659.31
    n-nonanol 162.14
    cyclohexanol 708.31
    benzyl alcohol 401.38
    2-ethylhexanol 264.84
    isooctanol 150.05
    dipropyl ether 253.78
    1,2-dichlorobenzene 427.07
    ethyl lactate 187.16
    propylene carbonate 491.61
    n-methylformamide 834.23
    2-pentanol 601.76
    n-pentane 110.36
    1-propoxy-2-propanol 535.58
    1-methoxy-2-propyl acetate 498.59
    2-(2-methoxypropoxy) propanol 408.22
    mesitylene 183.13
    ε-caprolactone 779.37
    p-cymene 96.19
    epichlorohydrin 1276.76
    1,1,1-trichloroethane 919.2
    2-aminoethanol 717.19
    morpholine-4-carbaldehyde 1102.11
    sulfolane 882.88
    2,2,4-trimethylpentane 54.36
    2-methyltetrahydrofuran 1164.68
    n-hexyl acetate 378.56
    isooctane 43.48
    2-(2-butoxyethoxy)ethanol 640.01
    sec-butyl acetate 282.97
    tert-butyl acetate 542.47
    decalin 59.54
    glycerin 620.3
    diglyme 964.62
    acrylic acid 643.99
    isopropyl myristate 110.61
    n-butyric acid 902.2
    acetyl acetate 423.05
    di(2-ethylhexyl) phthalate 145.52
    ethyl propionate 308.56
    nitromethane 1250.53
    1,2-diethoxyethane 584.42
    benzonitrile 436.58
    trioctyl phosphate 95.02
    1-bromopropane 676.75
    gamma-valerolactone 1236.1
    n-decanol 110.59
    triethyl phosphate 124.88
    4-methyl-2-pentanol 325.5
    propionitrile 630.58
    vinylene carbonate 485.88
    1,1,2-trichlorotrifluoroethane 1031.5
    DMS 324.3
    cumene 136.34
    2-octanol 118.7
    2-hexanone 434.0
    octyl acetate 156.28
    limonene 151.32
    1,2-dimethoxyethane 1071.81
    ethyl orthosilicate 134.02
    tributyl phosphate 127.52
    diacetone alcohol 592.31
    N,N-dimethylaniline 277.18
    acrylonitrile 666.84
    aniline 685.84
    1,3-propanediol 884.24
    bromobenzene 508.16
    dibromomethane 906.76
    1,1,2,2-tetrachloroethane 1391.92
    2-methyl-cyclohexyl acetate 219.14
    tetrabutyl urea 156.61
    diisobutyl methanol 128.86
    2-phenylethanol 381.96
    styrene 279.98
    dioctyl adipate 167.66
    dimethyl sulfate 359.54
    ethyl butyrate 238.25
    methyl lactate 310.77
    butyl lactate 223.59
    diethyl carbonate 165.17
    propanediol butyl ether 464.53
    triethyl orthoformate 197.05
    p-tert-butyltoluene 101.35
    methyl 4-tert-butylbenzoate 258.25
    morpholine 1854.1
    tert-butylamine 711.49
    n-dodecanol 75.1
    dimethoxymethane 841.14
    ethylene carbonate 426.95
    cyrene 315.81
    2-ethoxyethyl acetate 424.94
    2-ethylhexyl acetate 341.95
    1,2,4-trichlorobenzene 543.94
    4-methylpyridine 1008.0
    dibutyl ether 203.31
    2,6-dimethyl-4-heptanol 128.86
    DEF 735.87
    dimethyl isosorbide 493.31
    tetrachloroethylene 921.14
    eugenol 277.63
    triacetin 320.74
    span 80 319.57
    1,4-butanediol 351.53
    1,1-dichloroethane 1048.47
    2-methyl-1-pentanol 521.91
    methyl formate 551.49
    2-methyl-1-butanol 812.9
    n-decane 14.84
    butyronitrile 694.84
    3,7-dimethyl-1-octanol 211.98
    1-chlorooctane 99.96
    1-chlorotetradecane 31.12
    n-nonane 14.2
    undecane 9.97
    tert-butylcyclohexane 59.46
    cyclooctane 38.86
    cyclopentanol 613.34
    tetrahydropyran 1327.42
    tert-amyl methyl ether 661.23
    2,5,8-trioxanonane 590.68
    1-hexene 400.15
    2-isopropoxyethanol 545.29
    2,2,2-trifluoroethanol 400.97
    methyl butyrate 399.88

    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