Perillic acid

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    7694-45-3

    Molecular formula
    C10H14O2

    SMILES
    CC(=C)C1CCC(=CC1)C(=O)O

  • Odor profile

    Fruity 58.97%
    Herbal 57.71%
    Sweet 54.03%
    Spicy 53.83%
    Mint 53.46%
    Green 48.74%
    Woody 43.52%
    Citrus 33.63%
    Fatty 29.95%
    Warm 28.99%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.51 (weak base)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Melting point expt.

    • 60 °C

    Flash point est.
    137.38 ˚C

  • Synonyms

    • Perillic acid
    • 7694-45-3
    • (-)-perillic acid
    • Perillicacid
    • 4-Isopropenylcyclohex-1-enecarboxylic acid
    • 4-prop-1-en-2-ylcyclohexene-1-carboxylic acid
    • PKS69DU4ZQ
    • 4-(1-methylethenyl)-1-cyclohexene-1-carboxylic acid
    • 1-Cyclohexene-1-carboxylicacid, 4-(1-methylethenyl)-
    • CHEBI:36999
    • 4-Isopropenyl-1-cyclohexene-1-carboxylic acid
    • 4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylic acid
    • 1-Cyclohexene-1-carboxylic acid, 4-(1-methylethenyl)-
    • SR-01000076076
    • EINECS 231-709-5
    • 4-isopropenylcyclohex-1-ene carboxylic acid
    • 4-(2-propenyl)-1-cyclohexane-1-carboxylic acid
    • UNII-PKS69DU4ZQ
    • Lopac0_001001
    • SCHEMBL465998
    • CHEMBL1373981
    • DTXSID60864105
    • HMS3263I03
    • Tox21_501001
    • NSC641067
    • AKOS006230667
    • CCG-205081
    • LMPR0102090041
    • LP01001
    • NSC-641067
    • SDCCGSBI-0050974.P002
    • NCGC00015832-02
    • NCGC00015832-03
    • NCGC00015832-04
    • NCGC00015832-05
    • NCGC00015832-06
    • NCGC00015832-07
    • NCGC00094295-01
    • NCGC00094295-02
    • NCGC00094295-03
    • NCGC00094295-04
    • NCGC00261686-01
    • NCI60_013759
    • SY316382
    • HY-113471
    • CS-0062325
    • EU-0101001
    • NS00015181
    • P 7083
    • SR-01000076076-1
    • SR-01000076076-5
    • SR-01000076076-6
    • (S)-4-(1-Propen-2-yl)cyclohex-1-enecarboxylic Acid
    • Q27104388
    • 1A4758DA-6365-4FD5-BAEA-16032D3488FF

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 210.43
    methanol 251.67
    isopropanol 142.6
    water 1.88
    ethyl acetate 130.26
    n-propanol 173.4
    acetone 139.95
    n-butanol 154.81
    acetonitrile 46.51
    DMF 328.87
    toluene 52.47
    isobutanol 126.23
    1,4-dioxane 172.38
    methyl acetate 108.54
    THF 376.0
    2-butanone 167.5
    n-pentanol 114.71
    sec-butanol 142.65
    n-hexane 10.45
    ethylene glycol 80.2
    NMP 528.58
    cyclohexane 5.69
    DMSO 527.51
    n-butyl acetate 108.63
    n-octanol 28.97
    chloroform 131.53
    n-propyl acetate 75.43
    acetic acid 185.21
    dichloromethane 112.91
    cyclohexanone 181.49
    propylene glycol 114.55
    isopropyl acetate 97.71
    DMAc 381.75
    2-ethoxyethanol 242.58
    isopentanol 156.28
    n-heptane 3.06
    ethyl formate 67.22
    1,2-dichloroethane 133.12
    n-hexanol 122.21
    2-methoxyethanol 385.79
    isobutyl acetate 42.03
    tetrachloromethane 37.82
    n-pentyl acetate 56.71
    transcutol 1127.59
    n-heptanol 48.76
    ethylbenzene 33.88
    MIBK 109.41
    2-propoxyethanol 280.13
    tert-butanol 228.35
    MTBE 152.27
    2-butoxyethanol 145.89
    propionic acid 160.8
    o-xylene 46.5
    formic acid 201.92
    diethyl ether 106.22
    m-xylene 52.37
    p-xylene 33.96
    chlorobenzene 69.92
    dimethyl carbonate 79.38
    n-octane 0.84
    formamide 334.54
    cyclopentanone 270.22
    2-pentanone 150.29
    anisole 112.56
    cyclopentyl methyl ether 183.49
    gamma-butyrolactone 305.43
    1-methoxy-2-propanol 321.52
    pyridine 145.55
    3-pentanone 120.45
    furfural 280.88
    n-dodecane 0.46
    diethylene glycol 251.06
    diisopropyl ether 40.79
    tert-amyl alcohol 237.72
    acetylacetone 152.87
    n-hexadecane 0.54
    acetophenone 111.99
    methyl propionate 144.19
    isopentyl acetate 106.3
    trichloroethylene 267.54
    n-nonanol 26.08
    cyclohexanol 107.24
    benzyl alcohol 108.85
    2-ethylhexanol 54.07
    isooctanol 39.53
    dipropyl ether 45.63
    1,2-dichlorobenzene 80.68
    ethyl lactate 66.64
    propylene carbonate 157.95
    n-methylformamide 244.12
    2-pentanol 116.74
    n-pentane 7.81
    1-propoxy-2-propanol 182.22
    1-methoxy-2-propyl acetate 191.47
    2-(2-methoxypropoxy) propanol 184.64
    mesitylene 33.7
    ε-caprolactone 193.7
    p-cymene 21.56
    epichlorohydrin 380.09
    1,1,1-trichloroethane 96.77
    2-aminoethanol 183.68
    morpholine-4-carbaldehyde 379.74
    sulfolane 509.32
    2,2,4-trimethylpentane 6.95
    2-methyltetrahydrofuran 277.84
    n-hexyl acetate 78.99
    isooctane 5.58
    2-(2-butoxyethoxy)ethanol 272.17
    sec-butyl acetate 65.39
    tert-butyl acetate 157.43
    decalin 5.7
    glycerin 187.95
    diglyme 413.55
    acrylic acid 150.47
    isopropyl myristate 23.17
    n-butyric acid 167.4
    acetyl acetate 66.32
    di(2-ethylhexyl) phthalate 43.46
    ethyl propionate 76.35
    nitromethane 265.74
    1,2-diethoxyethane 145.03
    benzonitrile 68.96
    trioctyl phosphate 25.82
    1-bromopropane 52.48
    gamma-valerolactone 345.73
    n-decanol 17.24
    triethyl phosphate 41.85
    4-methyl-2-pentanol 77.57
    propionitrile 56.61
    vinylene carbonate 107.08
    1,1,2-trichlorotrifluoroethane 337.63
    DMS 96.78
    cumene 26.21
    2-octanol 22.41
    2-hexanone 98.14
    octyl acetate 34.01
    limonene 29.9
    1,2-dimethoxyethane 232.77
    ethyl orthosilicate 40.63
    tributyl phosphate 36.19
    diacetone alcohol 258.12
    N,N-dimethylaniline 84.04
    acrylonitrile 80.09
    aniline 137.71
    1,3-propanediol 221.91
    bromobenzene 55.81
    dibromomethane 76.93
    1,1,2,2-tetrachloroethane 248.53
    2-methyl-cyclohexyl acetate 66.7
    tetrabutyl urea 46.28
    diisobutyl methanol 32.57
    2-phenylethanol 119.71
    styrene 39.88
    dioctyl adipate 48.29
    dimethyl sulfate 185.82
    ethyl butyrate 68.1
    methyl lactate 126.92
    butyl lactate 84.25
    diethyl carbonate 43.42
    propanediol butyl ether 166.86
    triethyl orthoformate 56.02
    p-tert-butyltoluene 22.56
    methyl 4-tert-butylbenzoate 101.62
    morpholine 292.96
    tert-butylamine 112.1
    n-dodecanol 10.76
    dimethoxymethane 237.22
    ethylene carbonate 82.55
    cyrene 158.64
    2-ethoxyethyl acetate 130.06
    2-ethylhexyl acetate 75.71
    1,2,4-trichlorobenzene 121.57
    4-methylpyridine 164.6
    dibutyl ether 26.15
    2,6-dimethyl-4-heptanol 32.57
    DEF 210.41
    dimethyl isosorbide 275.44
    tetrachloroethylene 189.89
    eugenol 115.18
    triacetin 97.69
    span 80 131.55
    1,4-butanediol 86.2
    1,1-dichloroethane 86.11
    2-methyl-1-pentanol 118.47
    methyl formate 128.0
    2-methyl-1-butanol 151.03
    n-decane 0.97
    butyronitrile 50.86
    3,7-dimethyl-1-octanol 43.51
    1-chlorooctane 9.57
    1-chlorotetradecane 2.63
    n-nonane 0.92
    undecane 0.64
    tert-butylcyclohexane 6.77
    cyclooctane 2.51
    cyclopentanol 138.23
    tetrahydropyran 134.42
    tert-amyl methyl ether 149.29
    2,5,8-trioxanonane 271.17
    1-hexene 34.91
    2-isopropoxyethanol 159.8
    2,2,2-trifluoroethanol 92.39
    methyl butyrate 93.3

    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
Spearmint, scotch (Japan) Mentha gracilis Sole, fam. Lamiaceae (Labiatae) 0.24%