2,6,6-Trimethylcyclohexa-2,4-diene-1-carboxylic acid

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C10H14O2

    SMILES
    CC1=CC=CC(C1C(=O)O)(C)C

  • Odor profile

    Herbal 67.91%
    Fruity 65.17%
    Spicy 55.74%
    Mint 46.3%
    Woody 43.3%
    Floral 38.9%
    Sweet 36.47%
    Tobacco 35.19%
    Green 34.06%
    Rose 28.88%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    266°C

    Flash point est.
    130.04 ˚C

  • Synonyms

    • SCHEMBL10456858

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 986.29
    methanol 1227.68
    isopropanol 667.84
    water 10.58
    ethyl acetate 560.29
    n-propanol 809.62
    acetone 777.71
    n-butanol 577.47
    acetonitrile 788.06
    DMF 857.05
    toluene 296.19
    isobutanol 467.02
    1,4-dioxane 1293.41
    methyl acetate 527.2
    THF 2692.21
    2-butanone 554.1
    n-pentanol 384.07
    sec-butanol 506.22
    n-hexane 93.04
    ethylene glycol 221.31
    NMP 777.09
    cyclohexane 70.15
    DMSO 901.33
    n-butyl acetate 250.98
    n-octanol 191.98
    chloroform 642.38
    n-propyl acetate 241.54
    acetic acid 480.71
    dichloromethane 596.49
    cyclohexanone 706.63
    propylene glycol 237.42
    isopropyl acetate 282.87
    DMAc 257.98
    2-ethoxyethanol 443.47
    isopentanol 343.11
    n-heptane 45.51
    ethyl formate 382.11
    1,2-dichloroethane 491.12
    n-hexanol 587.73
    2-methoxyethanol 832.94
    isobutyl acetate 133.21
    tetrachloromethane 121.47
    n-pentyl acetate 156.4
    transcutol 512.68
    n-heptanol 206.92
    ethylbenzene 110.49
    MIBK 283.51
    2-propoxyethanol 753.6
    tert-butanol 566.54
    MTBE 402.56
    2-butoxyethanol 265.23
    propionic acid 454.94
    o-xylene 116.32
    formic acid 316.73
    diethyl ether 723.59
    m-xylene 203.31
    p-xylene 111.6
    chlorobenzene 245.94
    dimethyl carbonate 212.23
    n-octane 20.33
    formamide 338.03
    cyclopentanone 1100.67
    2-pentanone 561.19
    anisole 224.58
    cyclopentyl methyl ether 912.63
    gamma-butyrolactone 1266.87
    1-methoxy-2-propanol 676.97
    pyridine 507.45
    3-pentanone 325.4
    furfural 525.02
    n-dodecane 16.24
    diethylene glycol 471.12
    diisopropyl ether 162.95
    tert-amyl alcohol 364.94
    acetylacetone 432.0
    n-hexadecane 18.1
    acetophenone 146.18
    methyl propionate 451.83
    isopentyl acetate 183.72
    trichloroethylene 608.82
    n-nonanol 154.3
    cyclohexanol 447.22
    benzyl alcohol 175.31
    2-ethylhexanol 195.31
    isooctanol 137.73
    dipropyl ether 227.23
    1,2-dichlorobenzene 156.41
    ethyl lactate 116.68
    propylene carbonate 427.55
    n-methylformamide 699.59
    2-pentanol 392.57
    n-pentane 95.88
    1-propoxy-2-propanol 387.48
    1-methoxy-2-propyl acetate 264.19
    2-(2-methoxypropoxy) propanol 154.37
    mesitylene 104.44
    ε-caprolactone 529.96
    p-cymene 61.8
    epichlorohydrin 1109.06
    1,1,1-trichloroethane 373.38
    2-aminoethanol 403.84
    morpholine-4-carbaldehyde 626.83
    sulfolane 1029.68
    2,2,4-trimethylpentane 31.62
    2-methyltetrahydrofuran 1329.05
    n-hexyl acetate 251.35
    isooctane 36.83
    2-(2-butoxyethoxy)ethanol 251.58
    sec-butyl acetate 148.02
    tert-butyl acetate 289.7
    decalin 32.66
    glycerin 259.47
    diglyme 351.15
    acrylic acid 336.66
    isopropyl myristate 83.78
    n-butyric acid 478.86
    acetyl acetate 223.33
    di(2-ethylhexyl) phthalate 74.46
    ethyl propionate 233.59
    nitromethane 763.54
    1,2-diethoxyethane 219.04
    benzonitrile 222.64
    trioctyl phosphate 72.7
    1-bromopropane 435.52
    gamma-valerolactone 978.56
    n-decanol 113.73
    triethyl phosphate 61.45
    4-methyl-2-pentanol 199.22
    propionitrile 585.37
    vinylene carbonate 331.46
    1,1,2-trichlorotrifluoroethane 340.37
    DMS 161.57
    cumene 67.42
    2-octanol 136.07
    2-hexanone 268.01
    octyl acetate 116.72
    limonene 93.57
    1,2-dimethoxyethane 552.42
    ethyl orthosilicate 64.21
    tributyl phosphate 72.0
    diacetone alcohol 346.81
    N,N-dimethylaniline 120.58
    acrylonitrile 553.17
    aniline 299.04
    1,3-propanediol 460.53
    bromobenzene 208.66
    dibromomethane 490.2
    1,1,2,2-tetrachloroethane 403.99
    2-methyl-cyclohexyl acetate 115.88
    tetrabutyl urea 91.83
    diisobutyl methanol 101.17
    2-phenylethanol 226.65
    styrene 119.01
    dioctyl adipate 90.8
    dimethyl sulfate 267.66
    ethyl butyrate 146.23
    methyl lactate 210.82
    butyl lactate 112.41
    diethyl carbonate 79.18
    propanediol butyl ether 210.34
    triethyl orthoformate 90.73
    p-tert-butyltoluene 68.69
    methyl 4-tert-butylbenzoate 155.41
    morpholine 1444.02
    tert-butylamine 344.14
    n-dodecanol 84.02
    dimethoxymethane 830.58
    ethylene carbonate 310.96
    cyrene 169.52
    2-ethoxyethyl acetate 200.0
    2-ethylhexyl acetate 137.16
    1,2,4-trichlorobenzene 169.02
    4-methylpyridine 514.2
    dibutyl ether 129.49
    2,6-dimethyl-4-heptanol 101.17
    DEF 379.06
    dimethyl isosorbide 275.08
    tetrachloroethylene 268.38
    eugenol 151.86
    triacetin 121.32
    span 80 164.29
    1,4-butanediol 180.68
    1,1-dichloroethane 520.07
    2-methyl-1-pentanol 217.53
    methyl formate 547.8
    2-methyl-1-butanol 342.3
    n-decane 27.85
    butyronitrile 549.35
    3,7-dimethyl-1-octanol 137.09
    1-chlorooctane 106.44
    1-chlorotetradecane 40.48
    n-nonane 27.78
    undecane 20.77
    tert-butylcyclohexane 37.27
    cyclooctane 28.21
    cyclopentanol 661.61
    tetrahydropyran 1260.23
    tert-amyl methyl ether 273.46
    2,5,8-trioxanonane 224.83
    1-hexene 258.32
    2-isopropoxyethanol 274.84
    2,2,2-trifluoroethanol 188.46
    methyl butyrate 271.73

    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
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%
Saffron 2 8022-19-3 Crocus sativus L., fam. Iridaceae 0.11%