(3S,4aS,8aS)-1,1,3,6-Tetramethyl-3-vinyl-3,4,4a,7,8,8a-hexahydro-1H-isochromene

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C15H24O

    SMILES
    CC1=C[C@@H]2C[C@@](OC([C@H]2CC1)(C)C)(C)C=C

  • Odor profile

    Herbal 66.04%
    Woody 65.14%
    Citrus 55.56%
    Fresh 54.41%
    Spicy 53.89%
    Floral 46.68%
    Sweet 46.6%
    Terpenic 38.94%
    Lemon 38.09%
    Mint 38.01%

    Scent© AI

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    9.22 (weak base)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    260°C

    Flash point est.
    95.54 ˚C

  • Synonyms

    • Cabreuva oxide A
    • (+)-Cabreuva oxide A
    • NIGRJVWIKNICMW-VNHYZAJKSA-N
    • (3S,4aS,8aS)-1,1,3,6-Tetramethyl-3-vinyl-3,4,4a,7,8,8a-hexahydro-1H-isochromene
    • 1H-2-Benzopyran, 3-ethenyl-3,4,4a,7,8,8a-hexahydro-1,1,3,6-tetramethyl-, (3S,4aS,8aS)-
    • 1H-2-Benzopyran, 3-ethenyl-3,4,4a,7,8,8a-hexahydro-1,1,3,6-tetramethyl-, [3S-(3.alpha.,4a.alpha.,8a.beta.)]-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 216.41
    methanol 226.28
    isopropanol 201.17
    water 1.22
    ethyl acetate 325.07
    n-propanol 242.12
    acetone 245.56
    n-butanol 260.12
    acetonitrile 273.93
    DMF 317.67
    toluene 620.25
    isobutanol 229.26
    1,4-dioxane 767.2
    methyl acetate 305.33
    THF 956.02
    2-butanone 326.18
    n-pentanol 192.62
    sec-butanol 228.27
    n-hexane 123.86
    ethylene glycol 34.0
    NMP 473.17
    cyclohexane 307.02
    DMSO 210.22
    n-butyl acetate 410.28
    n-octanol 241.73
    chloroform 1390.54
    n-propyl acetate 211.36
    acetic acid 179.09
    dichloromethane 1015.42
    cyclohexanone 619.8
    propylene glycol 58.88
    isopropyl acetate 245.96
    DMAc 419.81
    2-ethoxyethanol 182.63
    isopentanol 262.21
    n-heptane 148.74
    ethyl formate 192.06
    1,2-dichloroethane 456.45
    n-hexanol 440.24
    2-methoxyethanol 263.78
    isobutyl acetate 196.21
    tetrachloromethane 253.21
    n-pentyl acetate 300.32
    transcutol 886.5
    n-heptanol 219.35
    ethylbenzene 272.74
    MIBK 224.76
    2-propoxyethanol 467.95
    tert-butanol 248.64
    MTBE 352.92
    2-butoxyethanol 271.16
    propionic acid 177.33
    o-xylene 330.13
    formic acid 53.8
    diethyl ether 404.06
    m-xylene 379.81
    p-xylene 335.62
    chlorobenzene 514.03
    dimethyl carbonate 136.86
    n-octane 47.25
    formamide 70.74
    cyclopentanone 519.52
    2-pentanone 280.81
    anisole 334.79
    cyclopentyl methyl ether 552.78
    gamma-butyrolactone 522.26
    1-methoxy-2-propanol 243.82
    pyridine 594.91
    3-pentanone 294.85
    furfural 460.21
    n-dodecane 41.78
    diethylene glycol 234.85
    diisopropyl ether 164.79
    tert-amyl alcohol 246.45
    acetylacetone 282.11
    n-hexadecane 47.5
    acetophenone 287.83
    methyl propionate 273.41
    isopentyl acetate 382.8
    trichloroethylene 913.82
    n-nonanol 215.85
    cyclohexanol 386.29
    benzyl alcohol 234.44
    2-ethylhexanol 298.46
    isooctanol 181.99
    dipropyl ether 341.64
    1,2-dichlorobenzene 436.65
    ethyl lactate 120.05
    propylene carbonate 355.6
    n-methylformamide 144.97
    2-pentanol 200.81
    n-pentane 129.5
    1-propoxy-2-propanol 349.12
    1-methoxy-2-propyl acetate 367.01
    2-(2-methoxypropoxy) propanol 296.38
    mesitylene 242.19
    ε-caprolactone 517.35
    p-cymene 226.43
    epichlorohydrin 550.15
    1,1,1-trichloroethane 539.44
    2-aminoethanol 90.52
    morpholine-4-carbaldehyde 537.66
    sulfolane 452.82
    2,2,4-trimethylpentane 68.85
    2-methyltetrahydrofuran 760.84
    n-hexyl acetate 450.49
    isooctane 51.93
    2-(2-butoxyethoxy)ethanol 365.28
    sec-butyl acetate 179.83
    tert-butyl acetate 255.56
    decalin 112.09
    glycerin 79.38
    diglyme 625.58
    acrylic acid 145.29
    isopropyl myristate 187.87
    n-butyric acid 276.4
    acetyl acetate 252.12
    di(2-ethylhexyl) phthalate 192.15
    ethyl propionate 209.44
    nitromethane 259.88
    1,2-diethoxyethane 416.98
    benzonitrile 384.38
    trioctyl phosphate 138.5
    1-bromopropane 458.44
    gamma-valerolactone 646.2
    n-decanol 160.38
    triethyl phosphate 161.02
    4-methyl-2-pentanol 152.47
    propionitrile 289.93
    vinylene carbonate 374.99
    1,1,2-trichlorotrifluoroethane 320.07
    DMS 300.04
    cumene 192.1
    2-octanol 157.87
    2-hexanone 235.52
    octyl acetate 236.0
    limonene 294.32
    1,2-dimethoxyethane 394.56
    ethyl orthosilicate 161.71
    tributyl phosphate 165.59
    diacetone alcohol 223.85
    N,N-dimethylaniline 256.0
    acrylonitrile 263.77
    aniline 376.22
    1,3-propanediol 137.09
    bromobenzene 632.59
    dibromomethane 728.46
    1,1,2,2-tetrachloroethane 730.93
    2-methyl-cyclohexyl acetate 288.54
    tetrabutyl urea 197.31
    diisobutyl methanol 157.33
    2-phenylethanol 326.21
    styrene 303.86
    dioctyl adipate 225.96
    dimethyl sulfate 164.01
    ethyl butyrate 265.4
    methyl lactate 127.0
    butyl lactate 211.74
    diethyl carbonate 197.43
    propanediol butyl ether 228.22
    triethyl orthoformate 227.27
    p-tert-butyltoluene 214.19
    methyl 4-tert-butylbenzoate 302.84
    morpholine 692.58
    tert-butylamine 219.64
    n-dodecanol 125.03
    dimethoxymethane 305.97
    ethylene carbonate 328.74
    cyrene 244.66
    2-ethoxyethyl acetate 357.05
    2-ethylhexyl acetate 362.27
    1,2,4-trichlorobenzene 485.43
    4-methylpyridine 647.37
    dibutyl ether 278.19
    2,6-dimethyl-4-heptanol 157.33
    DEF 324.46
    dimethyl isosorbide 507.72
    tetrachloroethylene 476.73
    eugenol 265.61
    triacetin 367.18
    span 80 299.56
    1,4-butanediol 62.15
    1,1-dichloroethane 532.0
    2-methyl-1-pentanol 214.95
    methyl formate 130.41
    2-methyl-1-butanol 264.42
    n-decane 69.18
    butyronitrile 312.5
    3,7-dimethyl-1-octanol 239.43
    1-chlorooctane 220.05
    1-chlorotetradecane 96.66
    n-nonane 67.79
    undecane 51.9
    tert-butylcyclohexane 98.08
    cyclooctane 120.9
    cyclopentanol 317.09
    tetrahydropyran 840.28
    tert-amyl methyl ether 289.52
    2,5,8-trioxanonane 438.18
    1-hexene 239.47
    2-isopropoxyethanol 171.97
    2,2,2-trifluoroethanol 82.41
    methyl butyrate 238.29

    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
Vassoura (Brazil) 3 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.3%