(1S,2R,3R,6R)-3,7,7-Trimethylbicyclo[4.1.0]heptan-2-ol

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  • Identifiers

    CAS number
    118395-91-8

    Molecular formula
    C10H18O

    SMILES
    C[C@@H]1CC[C@@H]2[C@H]([C@@H]1O)C2(C)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 74.97%
    Mint 68.18%
    Woody 64.98%
    Camphoreous 62.67%
    Spicy 56.35%
    Earthy 56.28%
    Cooling 54.96%
    Pine 52.11%
    Sweet 45.61%
    Fresh 44.59%

     

    Flavor
    Herbal 59.06%
    Minty 46.49%
    Sweet 45.03%
    Herb 41.03%
    Fruity 39.25%
    Earthy 37.62%
    Pine 37.33%
    Woody 36.41%
    Green 35.53%
    Camphor 35.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.19 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    223°C

    Flash point

    • 76.8 ˚C est.

  • Synonyms

    • DTXSID901187995
    • (1S,2R,3R,6R)-3,7,7-Trimethylbicyclo[4.1.0]heptan-2-ol
    • Bicyclo[4.1.0]heptan-2-ol, 3,7,7-trimethyl-, (1I+/-,2I+/-,3I+/-,6I+/-)-
    • 118395-91-8
    • 118395-91-8

  • Applications

    For (1S,2R,3R,6R)-3,7,7-Trimethylbicyclo[4.1.0]heptan-2-ol (CAS 118395-91-8), typical applications include use as a fragrance ingredient/odorant in perfumery and cosmetics, incorporation as a scent component in household products, use as a chiral building block or intermediate in industrial fragrance synthesis, and serving as a fragrance additive in coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1000.84
    methanol 872.6
    isopropanol 965.38
    water 4.41
    ethyl acetate 504.07
    n-propanol 703.14
    acetone 744.63
    n-butanol 597.8
    acetonitrile 704.47
    DMF 432.93
    toluene 199.89
    isobutanol 504.01
    1,4-dioxane 1084.53
    methyl acetate 506.48
    THF 1944.07
    2-butanone 476.97
    n-pentanol 304.42
    sec-butanol 466.67
    n-hexane 80.97
    ethylene glycol 169.22
    NMP 220.96
    cyclohexane 100.52
    DMSO 402.06
    n-butyl acetate 440.16
    n-octanol 236.72
    chloroform 879.67
    n-propyl acetate 310.12
    acetic acid 404.77
    dichloromethane 667.34
    cyclohexanone 445.59
    propylene glycol 238.89
    isopropyl acetate 417.61
    DMAc 235.97
    2-ethoxyethanol 458.87
    isopentanol 492.04
    n-heptane 72.93
    ethyl formate 306.26
    1,2-dichloroethane 433.08
    n-hexanol 544.52
    2-methoxyethanol 759.77
    isobutyl acetate 260.76
    tetrachloromethane 209.82
    n-pentyl acetate 238.63
    transcutol 1025.64
    n-heptanol 251.95
    ethylbenzene 120.21
    MIBK 376.49
    2-propoxyethanol 786.94
    tert-butanol 820.17
    MTBE 740.43
    2-butoxyethanol 402.1
    propionic acid 316.09
    o-xylene 125.06
    formic acid 161.27
    diethyl ether 747.1
    m-xylene 174.27
    p-xylene 159.31
    chlorobenzene 223.56
    dimethyl carbonate 157.22
    n-octane 37.56
    formamide 217.93
    cyclopentanone 642.9
    2-pentanone 462.94
    anisole 244.3
    cyclopentyl methyl ether 535.74
    gamma-butyrolactone 676.52
    1-methoxy-2-propanol 657.44
    pyridine 423.25
    3-pentanone 271.53
    furfural 386.83
    n-dodecane 27.93
    diethylene glycol 523.44
    diisopropyl ether 292.67
    tert-amyl alcohol 433.29
    acetylacetone 442.21
    n-hexadecane 31.41
    acetophenone 175.97
    methyl propionate 318.17
    isopentyl acetate 404.72
    trichloroethylene 621.34
    n-nonanol 192.16
    cyclohexanol 325.31
    benzyl alcohol 169.15
    2-ethylhexanol 237.04
    isooctanol 207.53
    dipropyl ether 353.22
    1,2-dichlorobenzene 182.0
    ethyl lactate 146.98
    propylene carbonate 335.15
    n-methylformamide 357.13
    2-pentanol 422.53
    n-pentane 110.31
    1-propoxy-2-propanol 508.47
    1-methoxy-2-propyl acetate 428.2
    2-(2-methoxypropoxy) propanol 249.77
    mesitylene 131.66
    ε-caprolactone 387.56
    p-cymene 103.69
    epichlorohydrin 765.95
    1,1,1-trichloroethane 468.31
    2-aminoethanol 337.45
    morpholine-4-carbaldehyde 392.07
    sulfolane 454.34
    2,2,4-trimethylpentane 50.98
    2-methyltetrahydrofuran 782.05
    n-hexyl acetate 335.7
    isooctane 69.84
    2-(2-butoxyethoxy)ethanol 404.96
    sec-butyl acetate 235.26
    tert-butyl acetate 425.26
    decalin 46.66
    glycerin 282.38
    diglyme 662.2
    acrylic acid 226.9
    isopropyl myristate 134.39
    n-butyric acid 466.74
    acetyl acetate 285.1
    di(2-ethylhexyl) phthalate 105.12
    ethyl propionate 248.79
    nitromethane 563.97
    1,2-diethoxyethane 450.82
    benzonitrile 232.78
    trioctyl phosphate 95.06
    1-bromopropane 365.46
    gamma-valerolactone 701.22
    n-decanol 140.64
    triethyl phosphate 108.16
    4-methyl-2-pentanol 307.91
    propionitrile 541.2
    vinylene carbonate 287.02
    1,1,2-trichlorotrifluoroethane 346.83
    DMS 211.92
    cumene 101.52
    2-octanol 174.39
    2-hexanone 292.75
    octyl acetate 154.69
    limonene 134.35
    1,2-dimethoxyethane 696.05
    ethyl orthosilicate 114.49
    tributyl phosphate 102.75
    diacetone alcohol 380.25
    N,N-dimethylaniline 144.96
    acrylonitrile 466.55
    aniline 238.59
    1,3-propanediol 497.02
    bromobenzene 224.15
    dibromomethane 502.65
    1,1,2,2-tetrachloroethane 463.58
    2-methyl-cyclohexyl acetate 189.97
    tetrabutyl urea 106.02
    diisobutyl methanol 187.87
    2-phenylethanol 267.08
    styrene 126.38
    dioctyl adipate 132.11
    dimethyl sulfate 152.18
    ethyl butyrate 269.9
    methyl lactate 189.77
    butyl lactate 182.89
    diethyl carbonate 168.9
    propanediol butyl ether 314.12
    triethyl orthoformate 188.1
    p-tert-butyltoluene 111.73
    methyl 4-tert-butylbenzoate 208.22
    morpholine 958.06
    tert-butylamine 600.87
    n-dodecanol 108.07
    dimethoxymethane 584.51
    ethylene carbonate 281.61
    cyrene 168.76
    2-ethoxyethyl acetate 315.93
    2-ethylhexyl acetate 279.44
    1,2,4-trichlorobenzene 199.53
    4-methylpyridine 366.59
    dibutyl ether 256.36
    2,6-dimethyl-4-heptanol 187.87
    DEF 255.5
    dimethyl isosorbide 345.05
    tetrachloroethylene 351.02
    eugenol 184.48
    triacetin 215.08
    span 80 214.1
    1,4-butanediol 182.49
    1,1-dichloroethane 566.15
    2-methyl-1-pentanol 230.14
    methyl formate 294.81
    2-methyl-1-butanol 357.29
    n-decane 51.18
    butyronitrile 532.83
    3,7-dimethyl-1-octanol 216.77
    1-chlorooctane 145.11
    1-chlorotetradecane 58.05
    n-nonane 51.04
    undecane 36.64
    tert-butylcyclohexane 55.66
    cyclooctane 45.52
    cyclopentanol 398.97
    tetrahydropyran 902.18
    tert-amyl methyl ether 326.18
    2,5,8-trioxanonane 354.14
    1-hexene 203.72
    2-isopropoxyethanol 347.82
    2,2,2-trifluoroethanol 170.72
    methyl butyrate 278.98

    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