2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, formate

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  • Identifiers

    CAS number
    29239-07-4

    Molecular formula
    C11H16O2

    SMILES
    CC1=CCC(CC1OC=O)C(=C)C

  • Odor profile

    Fragrance
    Sweet 78.6%
    Mint 78.05%
    Herbal 77.4%
    Fruity 76.73%
    Spicy 57.54%
    Green 54.15%
    Cooling 41.43%
    Camphoreous 39.84%
    Fresh 36.2%
    Woody 35.87%

     

    Flavor
    Herbal 52.85%
    Spice 46.67%
    Minty 45.82%
    Fresh 42.74%
    Green 42.45%
    Mint 40.51%
    Spicy 39.18%
    Fatty 28.41%
    Woody 24.53%
    Floral 23.58%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.3 (weak base)

    Molecular weight
    180.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    233°C

    Flash point

    • 97.12 ˚C est.

  • Synonyms

    • 29239-07-4
    • 2-Methyl-5-(1-methylvinyl)cyclohex-2-en-1-yl formate
    • (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) formate
    • 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, formate
    • Carvyl formate
    • EINECS 249-529-0
    • 2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl formate
    • SCHEMBL19919416
    • DTXSID10865480
    • BPBPWBGJZQBEKD-UHFFFAOYSA-N
    • NS00049006

  • Applications

    2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, formate (CAS 29239-07-4) is primarily used in the fragrance industry as an odorant and as an intermediate in fragrance synthesis. In perfumery and cosmetics/personal care, it contributes to fruity-green note profiles and can serve as a fragrance ingredient and precursor for other scent materials. In household cleaning products, it is used as a fragrance component to impart a pleasant aroma. In coatings and inks, it may be employed as a fragrance additive to improve scent character. It may also function as an intermediate for preparing additional fragrance compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 383.6
    methanol 363.04
    isopropanol 270.11
    water 0.36
    ethyl acetate 348.01
    n-propanol 307.48
    acetone 232.79
    n-butanol 283.08
    acetonitrile 318.2
    DMF 359.16
    toluene 265.68
    isobutanol 189.2
    1,4-dioxane 668.75
    methyl acetate 331.41
    THF 515.95
    2-butanone 350.22
    n-pentanol 164.92
    sec-butanol 225.73
    n-hexane 5.43
    ethylene glycol 48.59
    NMP 234.78
    cyclohexane 17.61
    DMSO 341.26
    n-butyl acetate 227.48
    n-octanol 56.0
    chloroform 927.48
    n-propyl acetate 173.98
    acetic acid 206.42
    dichloromethane 773.95
    cyclohexanone 348.16
    propylene glycol 98.22
    isopropyl acetate 161.2
    DMAc 332.22
    2-ethoxyethanol 233.84
    isopentanol 222.9
    n-heptane 4.88
    ethyl formate 207.96
    1,2-dichloroethane 434.55
    n-hexanol 182.44
    2-methoxyethanol 421.51
    isobutyl acetate 98.45
    tetrachloromethane 88.07
    n-pentyl acetate 94.43
    transcutol 1000.86
    n-heptanol 67.64
    ethylbenzene 104.55
    MIBK 131.76
    2-propoxyethanol 290.7
    tert-butanol 293.07
    MTBE 181.8
    2-butoxyethanol 149.38
    propionic acid 178.62
    o-xylene 129.74
    formic acid 108.46
    diethyl ether 208.97
    m-xylene 148.0
    p-xylene 127.41
    chlorobenzene 264.18
    dimethyl carbonate 87.64
    n-octane 2.0
    formamide 203.05
    cyclopentanone 333.19
    2-pentanone 228.34
    anisole 233.1
    cyclopentyl methyl ether 181.86
    gamma-butyrolactone 375.25
    1-methoxy-2-propanol 300.76
    pyridine 608.51
    3-pentanone 157.96
    furfural 417.2
    n-dodecane 2.17
    diethylene glycol 188.48
    diisopropyl ether 44.11
    tert-amyl alcohol 216.07
    acetylacetone 209.68
    n-hexadecane 2.64
    acetophenone 194.7
    methyl propionate 217.3
    isopentyl acetate 193.76
    trichloroethylene 877.17
    n-nonanol 51.41
    cyclohexanol 187.87
    benzyl alcohol 211.53
    2-ethylhexanol 96.08
    isooctanol 57.16
    dipropyl ether 76.67
    1,2-dichlorobenzene 212.44
    ethyl lactate 83.8
    propylene carbonate 227.46
    n-methylformamide 230.46
    2-pentanol 157.15
    n-pentane 7.16
    1-propoxy-2-propanol 200.52
    1-methoxy-2-propyl acetate 224.95
    2-(2-methoxypropoxy) propanol 171.84
    mesitylene 73.82
    ε-caprolactone 303.17
    p-cymene 55.41
    epichlorohydrin 612.97
    1,1,1-trichloroethane 354.45
    2-aminoethanol 141.89
    morpholine-4-carbaldehyde 376.08
    sulfolane 302.04
    2,2,4-trimethylpentane 6.6
    2-methyltetrahydrofuran 411.17
    n-hexyl acetate 131.96
    isooctane 6.18
    2-(2-butoxyethoxy)ethanol 247.38
    sec-butyl acetate 119.9
    tert-butyl acetate 153.99
    decalin 11.58
    glycerin 120.31
    diglyme 443.84
    acrylic acid 143.37
    isopropyl myristate 46.98
    n-butyric acid 287.56
    acetyl acetate 155.31
    di(2-ethylhexyl) phthalate 65.43
    ethyl propionate 142.19
    nitromethane 352.72
    1,2-diethoxyethane 238.25
    benzonitrile 258.46
    trioctyl phosphate 37.99
    1-bromopropane 206.84
    gamma-valerolactone 470.97
    n-decanol 37.34
    triethyl phosphate 63.76
    4-methyl-2-pentanol 88.1
    propionitrile 253.46
    vinylene carbonate 221.49
    1,1,2-trichlorotrifluoroethane 319.34
    DMS 135.61
    cumene 62.41
    2-octanol 38.37
    2-hexanone 163.77
    octyl acetate 60.35
    limonene 67.92
    1,2-dimethoxyethane 350.12
    ethyl orthosilicate 60.96
    tributyl phosphate 51.19
    diacetone alcohol 198.74
    N,N-dimethylaniline 133.14
    acrylonitrile 311.21
    aniline 320.75
    1,3-propanediol 229.59
    bromobenzene 266.57
    dibromomethane 474.27
    1,1,2,2-tetrachloroethane 624.88
    2-methyl-cyclohexyl acetate 108.44
    tetrabutyl urea 63.96
    diisobutyl methanol 53.29
    2-phenylethanol 188.91
    styrene 134.12
    dioctyl adipate 79.17
    dimethyl sulfate 112.4
    ethyl butyrate 145.67
    methyl lactate 99.86
    butyl lactate 93.26
    diethyl carbonate 104.31
    propanediol butyl ether 151.62
    triethyl orthoformate 93.91
    p-tert-butyltoluene 53.93
    methyl 4-tert-butylbenzoate 128.61
    morpholine 791.05
    tert-butylamine 159.54
    n-dodecanol 26.79
    dimethoxymethane 232.97
    ethylene carbonate 174.96
    cyrene 147.23
    2-ethoxyethyl acetate 180.0
    2-ethylhexyl acetate 146.04
    1,2,4-trichlorobenzene 260.61
    4-methylpyridine 499.35
    dibutyl ether 61.13
    2,6-dimethyl-4-heptanol 53.29
    DEF 235.39
    dimethyl isosorbide 270.42
    tetrachloroethylene 349.23
    eugenol 134.83
    triacetin 145.03
    span 80 128.42
    1,4-butanediol 73.1
    1,1-dichloroethane 439.73
    2-methyl-1-pentanol 148.13
    methyl formate 155.01
    2-methyl-1-butanol 186.73
    n-decane 3.6
    butyronitrile 268.23
    3,7-dimethyl-1-octanol 76.99
    1-chlorooctane 28.45
    1-chlorotetradecane 10.81
    n-nonane 2.88
    undecane 2.74
    tert-butylcyclohexane 10.79
    cyclooctane 5.3
    cyclopentanol 163.22
    tetrahydropyran 488.16
    tert-amyl methyl ether 123.81
    2,5,8-trioxanonane 300.82
    1-hexene 43.97
    2-isopropoxyethanol 163.92
    2,2,2-trifluoroethanol 65.74
    methyl butyrate 194.39

    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