Bicyclo[3.1.0]hex-3-EN-2-OL

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    97631-68-0

    Molecular formula
    C6H8O

    SMILES
    C1C2C1C(C=C2)O

    Retention indicies (RI)

    • Carbowax: 1411.0

  • Odor profile

    Fragrance
    Woody 42.24%
    Fruity 41.25%
    Spicy 39.8%
    Herbal 37.4%
    Green 27.89%
    Sweet 25.62%
    Mint 24.38%
    Balsamic 22.25%
    Earthy 21.64%
    Floral 21.07%

     

    Flavor
    Bitter 62.01%
    Alkaline 21.9%
    Shrimp 20.71%
    Cedarleaf 20.49%
    Sweet-like 20.37%
    Cauliflower 19.58%
    Cereal 19.46%
    Green tea 19.17%
    Beet 19.16%
    Soil 19.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    8.0 (weak base)

    Molecular weight
    96.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    154°C

    Flash point

    • 62.19 ˚C est.

  • Synonyms

    • BICYCLO[3.1.0]HEX-3-EN-2-OL
    • 97631-68-0
    • DTXSID30565258

  • Applications

    Bicyclo[3.1.0]hex-3-EN-2-OL (CAS 97631-68-0) is primarily employed as a synthetic intermediate in organic chemistry. In practice it is commonly evaluated as a chiral building block for fragrance ingredient development, and as a precursor in the synthesis of specialty polymers and resin systems. It also serves as a reactive intermediate in coatings, inks, and adhesives formulations, and may be used in pharmaceutical and agrochemical research where stereochemically defined alkenyl alcohol motifs are required. Usage is typically governed by local regulations and formulation limits.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 412.75
    methanol 591.3
    isopropanol 225.78
    water 22.62
    ethyl acetate 121.05
    n-propanol 238.64
    acetone 92.13
    n-butanol 231.47
    acetonitrile 139.82
    DMF 114.35
    toluene 19.62
    isobutanol 148.28
    1,4-dioxane 165.04
    methyl acetate 106.02
    THF 179.47
    2-butanone 78.82
    n-pentanol 147.96
    sec-butanol 139.44
    n-hexane 6.15
    ethylene glycol 158.34
    NMP 48.82
    cyclohexane 5.83
    DMSO 117.73
    n-butyl acetate 69.21
    n-octanol 52.84
    chloroform 161.74
    n-propyl acetate 65.88
    acetic acid 299.63
    dichloromethane 101.28
    cyclohexanone 62.77
    propylene glycol 168.88
    isopropyl acetate 81.29
    DMAc 104.04
    2-ethoxyethanol 270.07
    isopentanol 190.17
    n-heptane 6.79
    ethyl formate 94.44
    1,2-dichloroethane 54.28
    n-hexanol 123.1
    2-methoxyethanol 402.79
    isobutyl acetate 47.2
    tetrachloromethane 35.12
    n-pentyl acetate 48.67
    transcutol 675.1
    n-heptanol 69.66
    ethylbenzene 12.61
    MIBK 79.48
    2-propoxyethanol 245.72
    tert-butanol 187.77
    MTBE 98.22
    2-butoxyethanol 151.7
    propionic acid 153.68
    o-xylene 16.65
    formic acid 276.15
    diethyl ether 102.95
    m-xylene 21.29
    p-xylene 16.45
    chlorobenzene 27.23
    dimethyl carbonate 44.31
    n-octane 3.35
    formamide 329.74
    cyclopentanone 80.09
    2-pentanone 87.26
    anisole 51.15
    cyclopentyl methyl ether 70.53
    gamma-butyrolactone 100.8
    1-methoxy-2-propanol 297.92
    pyridine 91.81
    3-pentanone 44.45
    furfural 99.63
    n-dodecane 3.05
    diethylene glycol 260.28
    diisopropyl ether 35.97
    tert-amyl alcohol 115.75
    acetylacetone 84.66
    n-hexadecane 3.15
    acetophenone 43.14
    methyl propionate 81.69
    isopentyl acetate 61.46
    trichloroethylene 107.56
    n-nonanol 45.81
    cyclohexanol 68.37
    benzyl alcohol 64.5
    2-ethylhexanol 56.97
    isooctanol 57.7
    dipropyl ether 49.93
    1,2-dichlorobenzene 27.16
    ethyl lactate 56.35
    propylene carbonate 67.11
    n-methylformamide 164.13
    2-pentanol 125.91
    n-pentane 8.87
    1-propoxy-2-propanol 147.18
    1-methoxy-2-propyl acetate 90.42
    2-(2-methoxypropoxy) propanol 111.4
    mesitylene 16.2
    ε-caprolactone 74.64
    p-cymene 15.02
    epichlorohydrin 124.19
    1,1,1-trichloroethane 51.88
    2-aminoethanol 284.38
    morpholine-4-carbaldehyde 104.99
    sulfolane 70.89
    2,2,4-trimethylpentane 6.77
    2-methyltetrahydrofuran 98.93
    n-hexyl acetate 56.22
    isooctane 8.35
    2-(2-butoxyethoxy)ethanol 186.05
    sec-butyl acetate 49.13
    tert-butyl acetate 84.11
    decalin 4.48
    glycerin 228.4
    diglyme 284.22
    acrylic acid 138.81
    isopropyl myristate 23.03
    n-butyric acid 211.73
    acetyl acetate 68.21
    di(2-ethylhexyl) phthalate 29.85
    ethyl propionate 53.09
    nitromethane 248.54
    1,2-diethoxyethane 125.68
    benzonitrile 48.94
    trioctyl phosphate 20.3
    1-bromopropane 31.65
    gamma-valerolactone 121.92
    n-decanol 33.66
    triethyl phosphate 25.07
    4-methyl-2-pentanol 101.9
    propionitrile 105.27
    vinylene carbonate 69.5
    1,1,2-trichlorotrifluoroethane 148.37
    DMS 41.55
    cumene 14.33
    2-octanol 38.11
    2-hexanone 56.81
    octyl acetate 29.47
    limonene 17.93
    1,2-dimethoxyethane 197.6
    ethyl orthosilicate 29.44
    tributyl phosphate 23.17
    diacetone alcohol 134.18
    N,N-dimethylaniline 36.09
    acrylonitrile 116.06
    aniline 64.55
    1,3-propanediol 310.06
    bromobenzene 20.81
    dibromomethane 63.21
    1,1,2,2-tetrachloroethane 83.51
    2-methyl-cyclohexyl acetate 39.3
    tetrabutyl urea 26.9
    diisobutyl methanol 42.88
    2-phenylethanol 68.25
    styrene 15.55
    dioctyl adipate 31.51
    dimethyl sulfate 44.39
    ethyl butyrate 52.02
    methyl lactate 80.08
    butyl lactate 55.42
    diethyl carbonate 37.08
    propanediol butyl ether 136.78
    triethyl orthoformate 42.27
    p-tert-butyltoluene 15.13
    methyl 4-tert-butylbenzoate 51.06
    morpholine 190.89
    tert-butylamine 110.78
    n-dodecanol 24.93
    dimethoxymethane 140.95
    ethylene carbonate 62.56
    cyrene 66.92
    2-ethoxyethyl acetate 85.88
    2-ethylhexyl acetate 40.6
    1,2,4-trichlorobenzene 32.19
    4-methylpyridine 61.53
    dibutyl ether 41.44
    2,6-dimethyl-4-heptanol 42.88
    DEF 77.56
    dimethyl isosorbide 110.26
    tetrachloroethylene 75.02
    eugenol 68.29
    triacetin 64.22
    span 80 82.45
    1,4-butanediol 137.72
    1,1-dichloroethane 57.46
    2-methyl-1-pentanol 117.64
    methyl formate 90.04
    2-methyl-1-butanol 143.98
    n-decane 4.64
    butyronitrile 107.69
    3,7-dimethyl-1-octanol 55.15
    1-chlorooctane 15.97
    1-chlorotetradecane 7.14
    n-nonane 4.07
    undecane 3.66
    tert-butylcyclohexane 6.0
    cyclooctane 3.24
    cyclopentanol 76.72
    tetrahydropyran 95.09
    tert-amyl methyl ether 62.64
    2,5,8-trioxanonane 174.64
    1-hexene 20.21
    2-isopropoxyethanol 186.63
    2,2,2-trifluoroethanol 134.57
    methyl butyrate 64.6

    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
Baga fruit Annona glabra L., fam. Annonaceae 0.1%