1,2,5,6-Tetrahydrocuminic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    71298-42-5

    Molecular formula
    C10H16O2

    SMILES
    CC(C)C1=CCC(CC1)C(=O)O

  • Odor profile

    Fragrance
    Herbal 67.95%
    Spicy 58.94%
    Mint 43.07%
    Woody 41.2%
    Animal 33.46%
    Balsamic 30.81%
    Cooling 27.75%
    Warm 26.99%
    Dry 26.69%
    Fresh 23.1%

     

    Flavor
    Fatty 27.82%
    Spice 23.13%
    Oily 22.18%
    Herbal 21.76%
    Odorless 20.84%
    Terpentine 19.71%
    Leaves 19.7%
    Cedarleaf 19.58%
    Linalool 19.5%
    Basil 19.3%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.67 (weak base)

    Molecular weight
    168.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    269°C

    Flash point

    • 130.57 ˚C est.

    Solubility expt.

    • Slightly soluble in water (0.01%); soluble in fats (10% in vegetable oil)
    • Soluble at room temperature (in ethanol)

  • Synonyms

    • 1,2,5,6-Tetrahydrocuminic acid
    • 71298-42-5
    • FEMA No. 3731
    • 3-Cyclohexene-1-carboxylic acid, 4-(1-methylethyl)-
    • 4-propan-2-ylcyclohex-3-ene-1-carboxylic acid
    • 4-Isopropyl-3-cyclohexene-1-carboxylic acid
    • JP3KX91NB0
    • (+/-)-1,2,5,6-tetrahydrocuminic acid
    • DTXSID70866559
    • 4-(propan-2-yl)cyclohex-3-ene-1-carboxylic acid
    • 4-(1-Methylethyl)-3-cyclohexene-1-carboxylic acid
    • 3-Cyclohexene-1-carboxylic acid, 4-(1-methylethyl)-, (+/-)-
    • 1,2,5,6-TETRAHYDROCUMINIC ACID [FHFI]
    • ISOPROPYL-3-CYCLOHEXENE-1-CARBOXYLIC ACID
    • (+/-)-3-CYCLOHEXENE-1-CARBOXYLIC ACID, 4-(1-METHYLETHYL)-
    • 3-CYCLOHEXENE-1-CARBOXYLIC ACID, 4-(1-METHYLETHYL)-,(+/-)-
    • UNII-JP3KX91NB0
    • p-Menth-3-ene-7-oic acid
    • SCHEMBL2827223
    • FEMA 3731
    • DTXCID30814834
    • CHEBI:192141
    • SVVRHSSIDPLFOP-UHFFFAOYSA-N
    • NS00012730
    • EN300-313312
    • Q27281618
    • 4-(1-Methylethyl)-3-cyclohexene-1-carboxylic acid, 9CI

  • Applications

    1,2,5,6-Tetrahydrocuminic acid (CAS 71298-42-5) is primarily used as a synthetic intermediate and chiral building block in the production of aroma and flavor compounds, serving as a scaffold for elaboration into fragrance ingredients with cumin-like or related notes. It is commonly evaluated as a precursor in fragrance chemistry and flavor applications and may be further transformed for use in cosmetics and personal-care formulations as part of fragrance systems. In broader industrial manufacturing, it can function as a versatile starting material for fine chemicals and pharmaceutical intermediates, where its bicyclic structure provides a framework for subsequent derivatization. Its role is typically that of an intermediate or synthon rather than a finished active ingredient, and its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 247.43
    methanol 294.31
    isopropanol 179.32
    water 1.92
    ethyl acetate 174.77
    n-propanol 219.84
    acetone 266.09
    n-butanol 182.18
    acetonitrile 94.07
    DMF 476.03
    toluene 81.02
    isobutanol 160.72
    1,4-dioxane 241.93
    methyl acetate 147.85
    THF 573.75
    2-butanone 225.38
    n-pentanol 145.4
    sec-butanol 171.25
    n-hexane 26.84
    ethylene glycol 78.52
    NMP 768.92
    cyclohexane 14.98
    DMSO 873.65
    n-butyl acetate 166.05
    n-octanol 52.59
    chloroform 248.84
    n-propyl acetate 112.85
    acetic acid 205.51
    dichloromethane 221.79
    cyclohexanone 302.39
    propylene glycol 115.86
    isopropyl acetate 136.72
    DMAc 423.12
    2-ethoxyethanol 251.92
    isopentanol 176.86
    n-heptane 6.67
    ethyl formate 95.56
    1,2-dichloroethane 238.75
    n-hexanol 152.62
    2-methoxyethanol 368.46
    isobutyl acetate 67.81
    tetrachloromethane 68.24
    n-pentyl acetate 94.92
    transcutol 1373.72
    n-heptanol 66.45
    ethylbenzene 56.38
    MIBK 153.36
    2-propoxyethanol 300.51
    tert-butanol 270.22
    MTBE 222.98
    2-butoxyethanol 166.19
    propionic acid 195.59
    o-xylene 72.24
    formic acid 181.39
    diethyl ether 168.87
    m-xylene 80.49
    p-xylene 60.06
    chlorobenzene 123.63
    dimethyl carbonate 98.59
    n-octane 2.14
    formamide 299.3
    cyclopentanone 498.85
    2-pentanone 222.96
    anisole 141.95
    cyclopentyl methyl ether 288.8
    gamma-butyrolactone 516.31
    1-methoxy-2-propanol 334.29
    pyridine 202.14
    3-pentanone 171.71
    furfural 384.85
    n-dodecane 1.23
    diethylene glycol 246.42
    diisopropyl ether 73.02
    tert-amyl alcohol 260.96
    acetylacetone 230.64
    n-hexadecane 1.48
    acetophenone 142.52
    methyl propionate 191.14
    isopentyl acetate 159.43
    trichloroethylene 465.54
    n-nonanol 46.14
    cyclohexanol 155.32
    benzyl alcohol 127.12
    2-ethylhexanol 77.22
    isooctanol 54.14
    dipropyl ether 70.74
    1,2-dichlorobenzene 134.36
    ethyl lactate 75.13
    propylene carbonate 224.53
    n-methylformamide 306.58
    2-pentanol 142.4
    n-pentane 17.24
    1-propoxy-2-propanol 207.46
    1-methoxy-2-propyl acetate 238.93
    2-(2-methoxypropoxy) propanol 205.48
    mesitylene 56.83
    ε-caprolactone 287.21
    p-cymene 34.46
    epichlorohydrin 527.03
    1,1,1-trichloroethane 191.0
    2-aminoethanol 187.95
    morpholine-4-carbaldehyde 470.33
    sulfolane 841.89
    2,2,4-trimethylpentane 13.43
    2-methyltetrahydrofuran 423.93
    n-hexyl acetate 142.24
    isooctane 10.96
    2-(2-butoxyethoxy)ethanol 311.46
    sec-butyl acetate 90.37
    tert-butyl acetate 208.04
    decalin 13.15
    glycerin 174.98
    diglyme 455.63
    acrylic acid 178.09
    isopropyl myristate 40.02
    n-butyric acid 204.02
    acetyl acetate 95.64
    di(2-ethylhexyl) phthalate 62.17
    ethyl propionate 105.18
    nitromethane 356.43
    1,2-diethoxyethane 214.89
    benzonitrile 108.62
    trioctyl phosphate 40.53
    1-bromopropane 104.57
    gamma-valerolactone 502.09
    n-decanol 30.79
    triethyl phosphate 58.08
    4-methyl-2-pentanol 93.04
    propionitrile 97.74
    vinylene carbonate 163.1
    1,1,2-trichlorotrifluoroethane 400.72
    DMS 143.31
    cumene 42.84
    2-octanol 38.93
    2-hexanone 151.79
    octyl acetate 57.24
    limonene 48.75
    1,2-dimethoxyethane 282.43
    ethyl orthosilicate 59.13
    tributyl phosphate 56.18
    diacetone alcohol 285.7
    N,N-dimethylaniline 113.04
    acrylonitrile 125.34
    aniline 166.22
    1,3-propanediol 213.73
    bromobenzene 109.03
    dibromomethane 154.42
    1,1,2,2-tetrachloroethane 419.01
    2-methyl-cyclohexyl acetate 96.28
    tetrabutyl urea 69.6
    diisobutyl methanol 46.93
    2-phenylethanol 135.25
    styrene 64.87
    dioctyl adipate 74.95
    dimethyl sulfate 242.22
    ethyl butyrate 94.96
    methyl lactate 132.16
    butyl lactate 113.89
    diethyl carbonate 62.72
    propanediol butyl ether 206.34
    triethyl orthoformate 77.82
    p-tert-butyltoluene 36.2
    methyl 4-tert-butylbenzoate 137.87
    morpholine 378.02
    tert-butylamine 161.85
    n-dodecanol 19.82
    dimethoxymethane 270.69
    ethylene carbonate 135.14
    cyrene 179.35
    2-ethoxyethyl acetate 186.42
    2-ethylhexyl acetate 122.64
    1,2,4-trichlorobenzene 186.61
    4-methylpyridine 235.19
    dibutyl ether 51.69
    2,6-dimethyl-4-heptanol 46.93
    DEF 264.85
    dimethyl isosorbide 321.92
    tetrachloroethylene 286.48
    eugenol 136.43
    triacetin 146.29
    span 80 154.42
    1,4-butanediol 89.75
    1,1-dichloroethane 172.9
    2-methyl-1-pentanol 142.87
    methyl formate 168.28
    2-methyl-1-butanol 175.62
    n-decane 2.72
    butyronitrile 91.07
    3,7-dimethyl-1-octanol 65.72
    1-chlorooctane 23.07
    1-chlorotetradecane 6.19
    n-nonane 2.63
    undecane 1.76
    tert-butylcyclohexane 15.34
    cyclooctane 6.55
    cyclopentanol 203.61
    tetrahydropyran 226.14
    tert-amyl methyl ether 191.84
    2,5,8-trioxanonane 293.41
    1-hexene 74.99
    2-isopropoxyethanol 174.68
    2,2,2-trifluoroethanol 110.9
    methyl butyrate 131.74

    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