Isophorol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    470-99-5

    Molecular formula
    C9H16O

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

  • Odor profile

    Fragrance
    Herbal 65.57%
    Mint 60.14%
    Woody 54.68%
    Camphoreous 52.45%
    Spicy 47.29%
    Sweet 45.58%
    Cooling 39.77%
    Musty 38.94%
    Earthy 38.94%
    Tobacco 34.8%

     

    Flavor
    Woody 54.71%
    Herbal 41.43%
    Minty 37.74%
    Camphor 37.54%
    Sweet 36.44%
    Spicy 33.8%
    Musty 32.94%
    Earthy 31.68%
    Tobacco 31.62%
    Fruity 30.17%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    9.5 (weak base)

    Molecular weight
    140.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    198°C

    Flash point

    • 82.91 ˚C est.

  • Synonyms

    • 3,5,5-Trimethyl-2-cyclohexen-1-ol
    • 470-99-5
    • Isophorol
    • 3,5,5-Trimethylcyclohex-2-en-1-ol
    • 2-Cyclohexen-1-ol, 3,5,5-trimethyl-
    • UNII-LZM50UCC5Y
    • LZM50UCC5Y
    • DTXSID6047072
    • EINECS 207-433-6
    • NSC 263506
    • NSC-263506
    • (+/-)-ISOPHOROL
    • AI3-33976
    • DTXCID4027072
    • ISOPHOROL, (+/-)-
    • 3,5,5-TRIMETHYLCYCLOHEX-2-ENOL
    • MFCD00001554
    • 3,5,5-trimethyl-cyclohex-2-en-1-ol
    • SCHEMBL1639680
    • CHEMBL3182691
    • Tox21_302344
    • 2-Cyclohexen-1-ol,5,5-trimethyl-
    • NSC263506
    • AKOS000119401
    • AKOS017278271
    • AKOS040764795
    • NCGC00256203-01
    • BS-52076
    • CAS-470-99-5
    • 3,5,5-Trimethyl-2-cyclohexen-1-ol, 96%
    • CS-0163027
    • NS00013268
    • EN300-20512
    • D94704
    • Q27283271
    • Z104478472

  • Applications

    Isophorol (CAS 470-99-5) is a chemical primarily used in fragrance and cosmetics, typically serving as a fragrance ingredient (odorant) and may function as a fixative or a light solvent in perfume formulations; it is also evaluated for cosmetic and personal care applications as a solvent and fragrance carrier. In household and cleaning products, it may be used as a solvent or formulation aid in cleaners and surface-care products. In industrial manufacturing, Isophorol is commonly used as an intermediate for fragrance synthesis and related chemicals, and can serve as a feedstock for polymers and plastics and for coatings, inks, or other finish materials. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1035.47
    methanol 1401.42
    isopropanol 745.08
    water 5.87
    ethyl acetate 487.8
    n-propanol 842.63
    acetone 563.2
    n-butanol 741.19
    acetonitrile 542.32
    DMF 391.34
    toluene 185.98
    isobutanol 536.89
    1,4-dioxane 903.52
    methyl acetate 462.52
    THF 1513.26
    2-butanone 476.69
    n-pentanol 412.24
    sec-butanol 587.27
    n-hexane 182.44
    ethylene glycol 189.38
    NMP 460.45
    cyclohexane 197.37
    DMSO 311.31
    n-butyl acetate 479.77
    n-octanol 347.41
    chloroform 614.23
    n-propyl acetate 249.64
    acetic acid 680.13
    dichloromethane 411.25
    cyclohexanone 593.86
    propylene glycol 283.03
    isopropyl acetate 320.67
    DMAc 281.73
    2-ethoxyethanol 388.94
    isopentanol 512.1
    n-heptane 202.03
    ethyl formate 306.91
    1,2-dichloroethane 294.13
    n-hexanol 1054.86
    2-methoxyethanol 746.1
    isobutyl acetate 186.1
    tetrachloromethane 145.79
    n-pentyl acetate 234.68
    transcutol 987.88
    n-heptanol 341.23
    ethylbenzene 92.43
    MIBK 304.27
    2-propoxyethanol 917.03
    tert-butanol 777.81
    MTBE 601.73
    2-butoxyethanol 406.98
    propionic acid 516.01
    o-xylene 121.49
    formic acid 297.85
    diethyl ether 690.17
    m-xylene 163.12
    p-xylene 111.77
    chlorobenzene 212.05
    dimethyl carbonate 125.46
    n-octane 57.69
    formamide 191.07
    cyclopentanone 627.5
    2-pentanone 455.49
    anisole 173.37
    cyclopentyl methyl ether 640.93
    gamma-butyrolactone 742.54
    1-methoxy-2-propanol 575.81
    pyridine 345.4
    3-pentanone 309.42
    furfural 417.52
    n-dodecane 40.35
    diethylene glycol 488.72
    diisopropyl ether 248.26
    tert-amyl alcohol 542.96
    acetylacetone 338.17
    n-hexadecane 43.81
    acetophenone 131.17
    methyl propionate 338.28
    isopentyl acetate 393.64
    trichloroethylene 438.84
    n-nonanol 276.63
    cyclohexanol 545.88
    benzyl alcohol 152.19
    2-ethylhexanol 461.13
    isooctanol 238.5
    dipropyl ether 479.7
    1,2-dichlorobenzene 150.07
    ethyl lactate 124.7
    propylene carbonate 389.84
    n-methylformamide 335.26
    2-pentanol 509.25
    n-pentane 212.87
    1-propoxy-2-propanol 627.9
    1-methoxy-2-propyl acetate 395.9
    2-(2-methoxypropoxy) propanol 272.14
    mesitylene 114.37
    ε-caprolactone 543.29
    p-cymene 112.73
    epichlorohydrin 583.23
    1,1,1-trichloroethane 342.32
    2-aminoethanol 404.88
    morpholine-4-carbaldehyde 482.08
    sulfolane 494.7
    2,2,4-trimethylpentane 87.55
    2-methyltetrahydrofuran 1000.12
    n-hexyl acetate 402.03
    isooctane 84.91
    2-(2-butoxyethoxy)ethanol 437.28
    sec-butyl acetate 180.95
    tert-butyl acetate 363.72
    decalin 67.37
    glycerin 299.16
    diglyme 574.84
    acrylic acid 356.74
    isopropyl myristate 147.06
    n-butyric acid 607.4
    acetyl acetate 257.89
    di(2-ethylhexyl) phthalate 122.8
    ethyl propionate 219.99
    nitromethane 553.25
    1,2-diethoxyethane 394.94
    benzonitrile 205.69
    trioctyl phosphate 111.44
    1-bromopropane 348.65
    gamma-valerolactone 712.99
    n-decanol 196.82
    triethyl phosphate 107.04
    4-methyl-2-pentanol 298.13
    propionitrile 441.31
    vinylene carbonate 290.36
    1,1,2-trichlorotrifluoroethane 353.99
    DMS 191.52
    cumene 79.31
    2-octanol 217.09
    2-hexanone 290.27
    octyl acetate 192.43
    limonene 202.19
    1,2-dimethoxyethane 506.09
    ethyl orthosilicate 119.0
    tributyl phosphate 132.25
    diacetone alcohol 372.13
    N,N-dimethylaniline 111.53
    acrylonitrile 359.87
    aniline 235.6
    1,3-propanediol 495.34
    bromobenzene 179.39
    dibromomethane 352.84
    1,1,2,2-tetrachloroethane 351.09
    2-methyl-cyclohexyl acetate 206.77
    tetrabutyl urea 145.53
    diisobutyl methanol 214.54
    2-phenylethanol 260.8
    styrene 97.5
    dioctyl adipate 162.5
    dimethyl sulfate 145.16
    ethyl butyrate 270.83
    methyl lactate 174.86
    butyl lactate 196.73
    diethyl carbonate 150.78
    propanediol butyl ether 362.3
    triethyl orthoformate 190.5
    p-tert-butyltoluene 119.88
    methyl 4-tert-butylbenzoate 197.7
    morpholine 969.35
    tert-butylamine 569.03
    n-dodecanol 148.15
    dimethoxymethane 427.66
    ethylene carbonate 274.3
    cyrene 178.46
    2-ethoxyethyl acetate 269.66
    2-ethylhexyl acetate 314.53
    1,2,4-trichlorobenzene 182.13
    4-methylpyridine 350.77
    dibutyl ether 309.64
    2,6-dimethyl-4-heptanol 214.54
    DEF 327.34
    dimethyl isosorbide 375.57
    tetrachloroethylene 251.18
    eugenol 183.67
    triacetin 219.88
    span 80 294.35
    1,4-butanediol 179.38
    1,1-dichloroethane 389.39
    2-methyl-1-pentanol 297.92
    methyl formate 262.56
    2-methyl-1-butanol 484.93
    n-decane 72.6
    butyronitrile 520.54
    3,7-dimethyl-1-octanol 295.45
    1-chlorooctane 191.61
    1-chlorotetradecane 76.09
    n-nonane 79.98
    undecane 51.42
    tert-butylcyclohexane 80.67
    cyclooctane 85.52
    cyclopentanol 534.98
    tetrahydropyran 1045.05
    tert-amyl methyl ether 418.85
    2,5,8-trioxanonane 368.38
    1-hexene 330.61
    2-isopropoxyethanol 267.8
    2,2,2-trifluoroethanol 189.51
    methyl butyrate 260.69

    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
Achillea biebersteinii (Turkey) 2 Achillea biebersteinii Afan., fam. Asteraceae (Compositae) 0.01%