3-Cyclohexene-1-methanol, 2,4-dimethyl-, 1-acetate

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  • Identifiers

    CAS number
    67634-26-8

    Molecular formula
    C11H18O2

    SMILES
    CC1C=C(CCC1COC(=O)C)C

  • Odor profile

    Fragrance
    Floral 81.15%
    Green 70.76%
    Herbal 69.84%
    Fruity 67.22%
    Sweet 53.01%
    Woody 52.67%
    Fresh 47.75%
    Spicy 46.93%
    Rose 41.57%
    Citrus 35.93%

     

    Flavor
    Fruity 79.29%
    Sweet 56.88%
    Herbal 47.8%
    Fruit 42.19%
    Raspberry 37.43%
    Tropical 36.43%
    Spicy 35.2%
    Minty 34.34%
    Mint 33.55%
    Herb 31.34%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.88 (weak base)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    231°C

    Flash point

    • 97.2 ˚C est.

  • Synonyms

    • 2,4-Dimethylcyclohex-3-ene-1-methyl acetate
    • 67634-26-8
    • EINECS 266-831-8
    • 3-Cyclohexene-1-methanol, 2,4-dimethyl-, acetate
    • DTXSID2052364
    • 3-Cyclohexene-1-methanol, 2,4-dimethyl-, 1-acetate
    • (2,4-dimethylcyclohex-3-en-1-yl)methyl acetate
    • SCHEMBL997368
    • DTXCID2030936
    • LICUDMOFXVHDPB-UHFFFAOYSA-N
    • NS00012283
    • 266-831-8

  • Applications

    3-Cyclohexene-1-methanol, 2,4-dimethyl-, 1-acetate (CAS 67634-26-8) is typically regarded as a fragrance-related intermediate and ester used in industry; practical applications include as a fragrance/odorant component in perfumery and cosmetic formulations; as a building block or intermediate in organic synthesis for chemical manufacturing; as a fragrance additive in coatings and inks; and as a scent component in cleaning and household products; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1132.95
    methanol 1017.38
    isopropanol 1167.7
    water 1.66
    ethyl acetate 753.95
    n-propanol 820.3
    acetone 850.05
    n-butanol 707.52
    acetonitrile 784.6
    DMF 778.52
    toluene 316.35
    isobutanol 597.12
    1,4-dioxane 1787.19
    methyl acetate 619.05
    THF 1405.62
    2-butanone 613.56
    n-pentanol 387.0
    sec-butanol 665.85
    n-hexane 34.53
    ethylene glycol 153.39
    NMP 485.68
    cyclohexane 77.99
    DMSO 635.12
    n-butyl acetate 383.03
    n-octanol 201.71
    chloroform 1868.71
    n-propyl acetate 277.5
    acetic acid 579.59
    dichloromethane 1334.65
    cyclohexanone 739.58
    propylene glycol 331.45
    isopropyl acetate 394.54
    DMAc 508.1
    2-ethoxyethanol 469.53
    isopentanol 565.68
    n-heptane 22.89
    ethyl formate 343.08
    1,2-dichloroethane 662.07
    n-hexanol 496.33
    2-methoxyethanol 895.92
    isobutyl acetate 190.4
    tetrachloromethane 178.57
    n-pentyl acetate 204.61
    transcutol 1991.99
    n-heptanol 176.39
    ethylbenzene 147.35
    MIBK 296.43
    2-propoxyethanol 682.1
    tert-butanol 1187.3
    MTBE 681.25
    2-butoxyethanol 321.55
    propionic acid 461.08
    o-xylene 195.18
    formic acid 176.51
    diethyl ether 598.7
    m-xylene 252.13
    p-xylene 192.62
    chlorobenzene 380.04
    dimethyl carbonate 145.26
    n-octane 12.97
    formamide 263.7
    cyclopentanone 728.35
    2-pentanone 476.34
    anisole 342.43
    cyclopentyl methyl ether 505.95
    gamma-butyrolactone 781.06
    1-methoxy-2-propanol 763.31
    pyridine 704.0
    3-pentanone 307.44
    furfural 605.14
    n-dodecane 14.47
    diethylene glycol 492.48
    diisopropyl ether 153.87
    tert-amyl alcohol 661.93
    acetylacetone 499.9
    n-hexadecane 16.48
    acetophenone 253.07
    methyl propionate 404.51
    isopentyl acetate 342.2
    trichloroethylene 1252.6
    n-nonanol 169.98
    cyclohexanol 569.79
    benzyl alcohol 293.37
    2-ethylhexanol 224.26
    isooctanol 144.73
    dipropyl ether 204.77
    1,2-dichlorobenzene 305.52
    ethyl lactate 140.33
    propylene carbonate 431.74
    n-methylformamide 372.84
    2-pentanol 464.57
    n-pentane 39.37
    1-propoxy-2-propanol 455.77
    1-methoxy-2-propyl acetate 414.88
    2-(2-methoxypropoxy) propanol 354.61
    mesitylene 143.75
    ε-caprolactone 628.6
    p-cymene 96.85
    epichlorohydrin 996.5
    1,1,1-trichloroethane 741.57
    2-aminoethanol 403.49
    morpholine-4-carbaldehyde 766.37
    sulfolane 619.66
    2,2,4-trimethylpentane 29.3
    2-methyltetrahydrofuran 1000.89
    n-hexyl acetate 339.36
    isooctane 26.15
    2-(2-butoxyethoxy)ethanol 534.96
    sec-butyl acetate 205.01
    tert-butyl acetate 393.64
    decalin 39.64
    glycerin 330.33
    diglyme 805.56
    acrylic acid 307.16
    isopropyl myristate 132.75
    n-butyric acid 680.97
    acetyl acetate 381.97
    di(2-ethylhexyl) phthalate 137.57
    ethyl propionate 241.67
    nitromethane 781.09
    1,2-diethoxyethane 535.49
    benzonitrile 382.73
    trioctyl phosphate 94.37
    1-bromopropane 433.98
    gamma-valerolactone 977.01
    n-decanol 125.91
    triethyl phosphate 109.82
    4-methyl-2-pentanol 253.26
    propionitrile 539.77
    vinylene carbonate 407.75
    1,1,2-trichlorotrifluoroethane 543.94
    DMS 259.12
    cumene 107.55
    2-octanol 131.11
    2-hexanone 273.24
    octyl acetate 172.62
    limonene 146.01
    1,2-dimethoxyethane 658.92
    ethyl orthosilicate 110.81
    tributyl phosphate 121.33
    diacetone alcohol 435.05
    N,N-dimethylaniline 196.29
    acrylonitrile 511.76
    aniline 457.59
    1,3-propanediol 563.08
    bromobenzene 403.4
    dibromomethane 885.16
    1,1,2,2-tetrachloroethane 1014.96
    2-methyl-cyclohexyl acetate 208.55
    tetrabutyl urea 136.91
    diisobutyl methanol 126.42
    2-phenylethanol 302.43
    styrene 183.86
    dioctyl adipate 187.09
    dimethyl sulfate 195.4
    ethyl butyrate 244.34
    methyl lactate 209.48
    butyl lactate 181.05
    diethyl carbonate 166.54
    propanediol butyl ether 377.98
    triethyl orthoformate 164.69
    p-tert-butyltoluene 100.37
    methyl 4-tert-butylbenzoate 246.92
    morpholine 1847.79
    tert-butylamine 646.36
    n-dodecanol 96.52
    dimethoxymethane 510.47
    ethylene carbonate 356.14
    cyrene 256.43
    2-ethoxyethyl acetate 346.06
    2-ethylhexyl acetate 250.85
    1,2,4-trichlorobenzene 371.56
    4-methylpyridine 716.93
    dibutyl ether 205.97
    2,6-dimethyl-4-heptanol 126.42
    DEF 409.22
    dimethyl isosorbide 497.61
    tetrachloroethylene 566.4
    eugenol 245.61
    triacetin 324.01
    span 80 314.4
    1,4-butanediol 194.99
    1,1-dichloroethane 892.1
    2-methyl-1-pentanol 324.64
    methyl formate 257.46
    2-methyl-1-butanol 471.6
    n-decane 22.79
    butyronitrile 573.79
    3,7-dimethyl-1-octanol 204.32
    1-chlorooctane 112.52
    1-chlorotetradecane 46.87
    n-nonane 21.26
    undecane 17.66
    tert-butylcyclohexane 40.67
    cyclooctane 23.65
    cyclopentanol 567.44
    tetrahydropyran 1253.01
    tert-amyl methyl ether 361.97
    2,5,8-trioxanonane 570.33
    1-hexene 164.88
    2-isopropoxyethanol 326.0
    2,2,2-trifluoroethanol 167.88
    methyl butyrate 292.12

    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