Bicyclo[4.1.0]hept-4-ene-3-methanol, 4,7,7-trimethyl-, 3-acetate

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  • Identifiers

    CAS number
    15103-33-0

    Molecular formula
    C13H20O2

    SMILES
    CC1=CC2C(C2(C)C)CC1COC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 81.55%
    Herbal 69.39%
    Fruity 69.13%
    Sweet 56.85%
    Floral 50.36%
    Spicy 50.34%
    Pine 44.31%
    Fresh 41.6%
    Balsamic 41.03%
    Dry 34.24%

     

    Flavor
    Sweet 54.17%
    Herbal 46.01%
    Woody 40.91%
    Fruity 40.06%
    Balsam 36.22%
    Pine 36.07%
    Fruit 32.46%
    Citrus 32.09%
    Tropical 32.05%
    Bitter 29.96%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.41 (weak base)

    Molecular weight
    208.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point

    • 106.38 ˚C est.

  • Synonyms

    • DTXSID70864555
    • Bicyclo[4.1.0]hept-4-ene-3-methanol, 4,7,7-trimethyl-, acetate
    • Bicyclo(4.1.0)hept-4-ene-3-methanol, 4,7,7-trimethyl-, acetate
    • Bicyclo(4.1.0)hept-4-ene-3-methanol, 4,7,7-trimethyl-, 3-acetate
    • Bicyclo[4.1.0]hept-4-ene-3-methanol, 4,7,7-trimethyl-, 3-acetate
    • RefChem:568315
    • DTXCID20813058
    • 2-Carene-4-methanol, acetate
    • 15103-33-0
    • (4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl)methyl acetate
    • 2-Carene-4-methanol acetate
    • 4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ylmethyl acetate
    • 4,7,7-Trimethylbicyclo(4.1.0)hept-4-en-3-ylmethyl acetate
    • JKPMQDRFEWGKLS-UHFFFAOYSA-N
    • EINECS 239-156-1
    • SCHEMBL28846596
    • DB-252920
    • NS00013258
    • (4,7,7-Trimethylbicyclo[4.1.0]hept-4-en-3-yl)methyl acetate
    • 15103-33-0

  • Applications

    Chemical name: Bicyclo[4.1.0]hept-4-ene-3-methanol, 4,7,7-trimethyl-, 3-acetate; CAS 15103-33-0. This compound is typically used as an intermediate and fragrance-related ingredient in specialty chemicals. In real-world applications, it may be used as a fragrance ingredient or fixative in perfumery; may be used as a cosmetic fragrance component; may be used in household products as an odor component; can serve as an intermediate in organic synthesis for specialty chemicals in industrial manufacturing; and may be explored as a building block in polymers or coatings formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 853.4
    methanol 612.75
    isopropanol 839.35
    water 1.02
    ethyl acetate 775.12
    n-propanol 620.58
    acetone 962.98
    n-butanol 508.95
    acetonitrile 616.99
    DMF 891.5
    toluene 246.42
    isobutanol 477.03
    1,4-dioxane 1169.69
    methyl acetate 804.46
    THF 1452.18
    2-butanone 778.28
    n-pentanol 302.76
    sec-butanol 523.03
    n-hexane 19.35
    ethylene glycol 202.89
    NMP 320.42
    cyclohexane 34.18
    DMSO 466.14
    n-butyl acetate 327.55
    n-octanol 148.24
    chloroform 1194.05
    n-propyl acetate 346.65
    acetic acid 347.48
    dichloromethane 881.65
    cyclohexanone 543.33
    propylene glycol 398.65
    isopropyl acetate 520.42
    DMAc 663.99
    2-ethoxyethanol 592.99
    isopentanol 457.78
    n-heptane 13.27
    ethyl formate 316.71
    1,2-dichloroethane 535.19
    n-hexanol 341.12
    2-methoxyethanol 1046.4
    isobutyl acetate 278.97
    tetrachloromethane 123.7
    n-pentyl acetate 215.04
    transcutol 1444.7
    n-heptanol 148.91
    ethylbenzene 140.79
    MIBK 402.62
    2-propoxyethanol 757.61
    tert-butanol 822.71
    MTBE 731.13
    2-butoxyethanol 353.39
    propionic acid 355.26
    o-xylene 150.37
    formic acid 148.16
    diethyl ether 596.4
    m-xylene 202.78
    p-xylene 198.89
    chlorobenzene 281.83
    dimethyl carbonate 277.63
    n-octane 9.35
    formamide 282.56
    cyclopentanone 723.93
    2-pentanone 579.74
    anisole 382.56
    cyclopentyl methyl ether 485.2
    gamma-butyrolactone 680.96
    1-methoxy-2-propanol 940.77
    pyridine 518.01
    3-pentanone 392.36
    furfural 511.29
    n-dodecane 10.05
    diethylene glycol 649.41
    diisopropyl ether 191.14
    tert-amyl alcohol 520.08
    acetylacetone 674.52
    n-hexadecane 11.63
    acetophenone 277.81
    methyl propionate 555.53
    isopentyl acetate 351.26
    trichloroethylene 964.97
    n-nonanol 131.78
    cyclohexanol 327.25
    benzyl alcohol 272.9
    2-ethylhexanol 161.97
    isooctanol 128.7
    dipropyl ether 173.86
    1,2-dichlorobenzene 233.13
    ethyl lactate 204.6
    propylene carbonate 379.03
    n-methylformamide 434.69
    2-pentanol 390.52
    n-pentane 25.56
    1-propoxy-2-propanol 466.07
    1-methoxy-2-propyl acetate 525.14
    2-(2-methoxypropoxy) propanol 343.19
    mesitylene 116.69
    ε-caprolactone 494.95
    p-cymene 76.25
    epichlorohydrin 996.68
    1,1,1-trichloroethane 548.53
    2-aminoethanol 399.63
    morpholine-4-carbaldehyde 653.3
    sulfolane 465.09
    2,2,4-trimethylpentane 22.49
    2-methyltetrahydrofuran 792.45
    n-hexyl acetate 314.64
    isooctane 22.65
    2-(2-butoxyethoxy)ethanol 474.51
    sec-butyl acetate 291.62
    tert-butyl acetate 487.75
    decalin 24.85
    glycerin 381.49
    diglyme 735.7
    acrylic acid 267.52
    isopropyl myristate 122.06
    n-butyric acid 424.14
    acetyl acetate 396.02
    di(2-ethylhexyl) phthalate 116.63
    ethyl propionate 307.81
    nitromethane 692.55
    1,2-diethoxyethane 454.34
    benzonitrile 294.49
    trioctyl phosphate 82.32
    1-bromopropane 323.2
    gamma-valerolactone 922.68
    n-decanol 101.15
    triethyl phosphate 109.96
    4-methyl-2-pentanol 267.86
    propionitrile 433.58
    vinylene carbonate 372.21
    1,1,2-trichlorotrifluoroethane 573.48
    DMS 346.49
    cumene 98.37
    2-octanol 114.27
    2-hexanone 336.8
    octyl acetate 150.39
    limonene 96.73
    1,2-dimethoxyethane 727.2
    ethyl orthosilicate 111.83
    tributyl phosphate 103.46
    diacetone alcohol 532.99
    N,N-dimethylaniline 209.01
    acrylonitrile 478.5
    aniline 338.9
    1,3-propanediol 542.97
    bromobenzene 276.12
    dibromomethane 553.27
    1,1,2,2-tetrachloroethane 773.6
    2-methyl-cyclohexyl acetate 189.11
    tetrabutyl urea 114.72
    diisobutyl methanol 111.93
    2-phenylethanol 305.14
    styrene 157.22
    dioctyl adipate 147.86
    dimethyl sulfate 290.61
    ethyl butyrate 219.81
    methyl lactate 306.88
    butyl lactate 198.12
    diethyl carbonate 163.47
    propanediol butyl ether 359.36
    triethyl orthoformate 162.72
    p-tert-butyltoluene 80.1
    methyl 4-tert-butylbenzoate 228.51
    morpholine 1216.88
    tert-butylamine 423.2
    n-dodecanol 78.04
    dimethoxymethane 754.1
    ethylene carbonate 334.1
    cyrene 251.2
    2-ethoxyethyl acetate 400.78
    2-ethylhexyl acetate 234.66
    1,2,4-trichlorobenzene 288.46
    4-methylpyridine 567.69
    dibutyl ether 169.61
    2,6-dimethyl-4-heptanol 111.93
    DEF 403.78
    dimethyl isosorbide 449.96
    tetrachloroethylene 406.32
    eugenol 226.42
    triacetin 328.46
    span 80 253.07
    1,4-butanediol 212.15
    1,1-dichloroethane 746.85
    2-methyl-1-pentanol 280.26
    methyl formate 321.38
    2-methyl-1-butanol 376.9
    n-decane 16.1
    butyronitrile 408.47
    3,7-dimethyl-1-octanol 169.12
    1-chlorooctane 84.68
    1-chlorotetradecane 34.33
    n-nonane 14.08
    undecane 12.42
    tert-butylcyclohexane 27.51
    cyclooctane 12.6
    cyclopentanol 381.11
    tetrahydropyran 854.03
    tert-amyl methyl ether 394.02
    2,5,8-trioxanonane 466.64
    1-hexene 102.26
    2-isopropoxyethanol 446.41
    2,2,2-trifluoroethanol 183.97
    methyl butyrate 347.44

    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