Neodihydrocarveol acetate, (-)-

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  • Identifiers

    CAS number
    75684-64-9

    Molecular formula
    C12H20O2

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

    Retention indicies (RI)

    • DB5: 1321.5

  • Odor profile

    Fragrance
    Fruity 90.89%
    Sweet 76.79%
    Herbal 73.75%
    Mint 70.4%
    Green 69.25%
    Floral 61.19%
    Woody 52.79%
    Spicy 51.2%
    Fresh 48.36%
    Cooling 43.23%

     

    Flavor
    Sweet 71.89%
    Minty 55.87%
    Floral 55.4%
    Mint 52.27%
    Woody 51.24%
    Herbal 47.86%
    Tropical 41.25%
    Fresh 37.13%
    Raspberry 35.39%
    Spicy 33.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.53 (weak base)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    236°C

    Flash point

    • 99.9 ˚C est.

  • Synonyms

    • (-)-Neodihydrocarveol acetate
    • Neodihydrocarveol acetate, (-)-
    • UNII-UT938J8EIU
    • UT938J8EIU
    • 75684-64-9
    • Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R,2S,5S)-
    • Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,2S,5S)-
    • DTXSID10226597
    • Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R-(1alpha,2alpha,5beta))-
    • CYCLOHEXANOL, 2-METHYL-5-(1-METHYLETHENYL)-, ACETATE, (1R-(1.ALPHA.,2.ALPHA.,5.BETA.))-
    • DTXCID40149088
    • Q27291263

  • Applications

    Neodihydrocarveol acetate, (-)- (CAS 75684-64-9), is primarily used as a fragrance ingredient in perfumery and personal care products, contributing woody-green and herbal notes and often functioning as a fixative to extend scent; it also appears in household fragrance products such as air fresheners and cleaners, and may serve as an intermediate or building block for the synthesis of other terpenoid esters and related specialty fragrance compounds in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2618.42
    methanol 3008.93
    isopropanol 2586.21
    water 2.06
    ethyl acetate 1182.52
    n-propanol 2065.05
    acetone 1347.12
    n-butanol 1793.47
    acetonitrile 1093.56
    DMF 1395.55
    toluene 770.62
    isobutanol 1450.73
    1,4-dioxane 2594.22
    methyl acetate 1015.87
    THF 2437.13
    2-butanone 1176.63
    n-pentanol 1127.33
    sec-butanol 1760.69
    n-hexane 110.42
    ethylene glycol 299.86
    NMP 799.45
    cyclohexane 170.39
    DMSO 1159.43
    n-butyl acetate 820.99
    n-octanol 339.6
    chloroform 3577.68
    n-propyl acetate 542.42
    acetic acid 985.11
    dichloromethane 2216.31
    cyclohexanone 1334.67
    propylene glycol 637.96
    isopropyl acetate 782.58
    DMAc 1048.26
    2-ethoxyethanol 997.74
    isopentanol 1511.07
    n-heptane 32.4
    ethyl formate 658.08
    1,2-dichloroethane 1252.64
    n-hexanol 1176.5
    2-methoxyethanol 1678.0
    isobutyl acetate 408.99
    tetrachloromethane 434.63
    n-pentyl acetate 397.27
    transcutol 2715.9
    n-heptanol 364.82
    ethylbenzene 332.71
    MIBK 597.11
    2-propoxyethanol 1333.81
    tert-butanol 2410.01
    MTBE 1705.85
    2-butoxyethanol 581.44
    propionic acid 861.31
    o-xylene 392.37
    formic acid 351.61
    diethyl ether 1337.99
    m-xylene 459.48
    p-xylene 418.57
    chlorobenzene 796.63
    dimethyl carbonate 230.1
    n-octane 15.77
    formamide 414.89
    cyclopentanone 1225.97
    2-pentanone 912.21
    anisole 645.61
    cyclopentyl methyl ether 936.74
    gamma-butyrolactone 1183.58
    1-methoxy-2-propanol 1422.96
    pyridine 1448.8
    3-pentanone 540.96
    furfural 1090.99
    n-dodecane 13.52
    diethylene glycol 835.05
    diisopropyl ether 299.26
    tert-amyl alcohol 1557.6
    acetylacetone 789.04
    n-hexadecane 16.07
    acetophenone 465.6
    methyl propionate 619.25
    isopentyl acetate 764.59
    trichloroethylene 2261.99
    n-nonanol 275.1
    cyclohexanol 1237.72
    benzyl alcohol 620.21
    2-ethylhexanol 457.72
    isooctanol 290.4
    dipropyl ether 360.7
    1,2-dichlorobenzene 595.64
    ethyl lactate 238.69
    propylene carbonate 712.34
    n-methylformamide 744.53
    2-pentanol 1130.31
    n-pentane 105.36
    1-propoxy-2-propanol 857.7
    1-methoxy-2-propyl acetate 660.39
    2-(2-methoxypropoxy) propanol 509.36
    mesitylene 253.88
    ε-caprolactone 1154.72
    p-cymene 160.24
    epichlorohydrin 1631.7
    1,1,1-trichloroethane 1432.2
    2-aminoethanol 834.54
    morpholine-4-carbaldehyde 1194.85
    sulfolane 895.14
    2,2,4-trimethylpentane 60.92
    2-methyltetrahydrofuran 1881.36
    n-hexyl acetate 589.79
    isooctane 50.59
    2-(2-butoxyethoxy)ethanol 782.45
    sec-butyl acetate 438.87
    tert-butyl acetate 697.5
    decalin 74.81
    glycerin 580.23
    diglyme 1246.6
    acrylic acid 559.04
    isopropyl myristate 181.09
    n-butyric acid 1300.96
    acetyl acetate 575.4
    di(2-ethylhexyl) phthalate 206.77
    ethyl propionate 426.47
    nitromethane 1039.65
    1,2-diethoxyethane 863.21
    benzonitrile 754.89
    trioctyl phosphate 136.73
    1-bromopropane 1002.81
    gamma-valerolactone 1605.83
    n-decanol 186.67
    triethyl phosphate 159.93
    4-methyl-2-pentanol 577.56
    propionitrile 1006.39
    vinylene carbonate 649.18
    1,1,2-trichlorotrifluoroethane 936.35
    DMS 373.8
    cumene 221.17
    2-octanol 254.58
    2-hexanone 626.02
    octyl acetate 237.54
    limonene 239.04
    1,2-dimethoxyethane 1464.69
    ethyl orthosilicate 169.7
    tributyl phosphate 177.05
    diacetone alcohol 767.48
    N,N-dimethylaniline 371.99
    acrylonitrile 914.09
    aniline 978.08
    1,3-propanediol 1219.9
    bromobenzene 810.23
    dibromomethane 1613.54
    1,1,2,2-tetrachloroethane 2046.21
    2-methyl-cyclohexyl acetate 312.77
    tetrabutyl urea 201.5
    diisobutyl methanol 225.87
    2-phenylethanol 616.78
    styrene 432.71
    dioctyl adipate 248.7
    dimethyl sulfate 293.67
    ethyl butyrate 399.2
    methyl lactate 331.25
    butyl lactate 336.48
    diethyl carbonate 254.11
    propanediol butyl ether 626.5
    triethyl orthoformate 271.18
    p-tert-butyltoluene 159.75
    methyl 4-tert-butylbenzoate 364.13
    morpholine 3085.05
    tert-butylamine 1458.15
    n-dodecanol 130.64
    dimethoxymethane 812.38
    ethylene carbonate 622.94
    cyrene 375.24
    2-ethoxyethyl acetate 545.26
    2-ethylhexyl acetate 513.76
    1,2,4-trichlorobenzene 704.69
    4-methylpyridine 1621.69
    dibutyl ether 353.41
    2,6-dimethyl-4-heptanol 225.87
    DEF 843.14
    dimethyl isosorbide 658.25
    tetrachloroethylene 1252.48
    eugenol 396.78
    triacetin 434.4
    span 80 452.64
    1,4-butanediol 451.52
    1,1-dichloroethane 1823.85
    2-methyl-1-pentanol 923.69
    methyl formate 481.89
    2-methyl-1-butanol 1255.33
    n-decane 26.16
    butyronitrile 1190.75
    3,7-dimethyl-1-octanol 380.56
    1-chlorooctane 168.6
    1-chlorotetradecane 54.84
    n-nonane 24.12
    undecane 18.05
    tert-butylcyclohexane 76.9
    cyclooctane 41.97
    cyclopentanol 1131.01
    tetrahydropyran 2355.49
    tert-amyl methyl ether 849.21
    2,5,8-trioxanonane 757.72
    1-hexene 515.17
    2-isopropoxyethanol 712.36
    2,2,2-trifluoroethanol 268.74
    methyl butyrate 614.02

    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

Botanical

Name CAS Botanical Proportion
Mentha x villosa (Belgium) Mentha x villosa H. nm. alopecuroides (M. x alopecuroides; M. x velutina) 0.05%
Calamintha nepeta (France) Calamintha nepeta (L.) Savi ssp. nepeta, fam. Lamiaceae (Labiatae) 0.01%