1-Isopropyl-4-methylenebicyclo[3.1.0]hex-2-ene

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C10H14

    SMILES
    CC(C)C12CC1C(=C)C=C2

  • Odor profile

    Woody 74.93%
    Green 55.59%
    Spicy 55.08%
    Herbal 55.06%
    Fruity 45.74%
    Fresh 41.7%
    Citrus 37.87%
    Oily 35.01%
    Mint 34.3%
    Terpenic 32.62%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    9.35 (weak base)

    Molecular weight
    134.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    159°C

    Flash point est.
    39.01 ˚C

  • Synonyms

    • 1-Isopropyl-4-methylenebicyclo[3.1.0]hex-2-ene
    • thuja-2,4(10)-diene
    • Bicyclo[3.1.0]hex-2-ene, 4-methylene-1-(1-methylethyl)-
    • Dehydrosabinene
    • 2,4(10)-Thujadiene
    • LBVRQJWOZIMWNY-UHFFFAOYSA-N
    • DTXSID701037326
    • 4-Methylene-1-(1-methylethyl)-bicyclo[3.1.0]hex-2-ene

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 405.92
    methanol 274.17
    isopropanol 458.91
    water 0.66
    ethyl acetate 595.16
    n-propanol 442.2
    acetone 601.02
    n-butanol 448.68
    acetonitrile 404.22
    DMF 521.0
    toluene 447.69
    isobutanol 351.65
    1,4-dioxane 1049.68
    methyl acetate 538.16
    THF 1331.23
    2-butanone 621.29
    n-pentanol 277.07
    sec-butanol 409.76
    n-hexane 145.83
    ethylene glycol 76.97
    NMP 274.66
    cyclohexane 167.27
    DMSO 312.11
    n-butyl acetate 511.56
    n-octanol 209.85
    chloroform 900.35
    n-propyl acetate 316.06
    acetic acid 153.41
    dichloromethane 680.1
    cyclohexanone 526.54
    propylene glycol 132.39
    isopropyl acetate 503.88
    DMAc 440.61
    2-ethoxyethanol 379.72
    isopentanol 393.2
    n-heptane 121.06
    ethyl formate 243.18
    1,2-dichloroethane 535.9
    n-hexanol 487.96
    2-methoxyethanol 549.6
    isobutyl acetate 279.76
    tetrachloromethane 239.88
    n-pentyl acetate 285.51
    transcutol 1024.25
    n-heptanol 223.09
    ethylbenzene 256.3
    MIBK 441.47
    2-propoxyethanol 717.03
    tert-butanol 533.82
    MTBE 803.23
    2-butoxyethanol 358.39
    propionic acid 197.66
    o-xylene 263.26
    formic acid 45.49
    diethyl ether 807.19
    m-xylene 333.28
    p-xylene 325.67
    chlorobenzene 373.45
    dimethyl carbonate 235.42
    n-octane 63.13
    formamide 101.09
    cyclopentanone 632.34
    2-pentanone 537.18
    anisole 510.99
    cyclopentyl methyl ether 604.88
    gamma-butyrolactone 506.77
    1-methoxy-2-propanol 549.42
    pyridine 572.91
    3-pentanone 451.76
    furfural 389.69
    n-dodecane 48.7
    diethylene glycol 371.09
    diisopropyl ether 345.9
    tert-amyl alcohol 427.4
    acetylacetone 565.96
    n-hexadecane 55.86
    acetophenone 318.28
    methyl propionate 426.06
    isopentyl acetate 530.84
    trichloroethylene 717.87
    n-nonanol 203.11
    cyclohexanol 311.45
    benzyl alcohol 247.97
    2-ethylhexanol 283.15
    isooctanol 198.27
    dipropyl ether 488.18
    1,2-dichlorobenzene 326.12
    ethyl lactate 151.25
    propylene carbonate 288.95
    n-methylformamide 221.79
    2-pentanol 369.14
    n-pentane 150.5
    1-propoxy-2-propanol 530.69
    1-methoxy-2-propyl acetate 595.64
    2-(2-methoxypropoxy) propanol 351.95
    mesitylene 244.38
    ε-caprolactone 423.48
    p-cymene 199.57
    epichlorohydrin 741.8
    1,1,1-trichloroethane 595.02
    2-aminoethanol 166.59
    morpholine-4-carbaldehyde 476.19
    sulfolane 399.6
    2,2,4-trimethylpentane 86.23
    2-methyltetrahydrofuran 829.77
    n-hexyl acetate 388.69
    isooctane 97.33
    2-(2-butoxyethoxy)ethanol 464.57
    sec-butyl acetate 304.22
    tert-butyl acetate 546.29
    decalin 107.08
    glycerin 146.35
    diglyme 816.91
    acrylic acid 139.89
    isopropyl myristate 209.37
    n-butyric acid 312.68
    acetyl acetate 351.79
    di(2-ethylhexyl) phthalate 153.23
    ethyl propionate 340.5
    nitromethane 320.6
    1,2-diethoxyethane 639.7
    benzonitrile 291.48
    trioctyl phosphate 113.76
    1-bromopropane 495.8
    gamma-valerolactone 661.88
    n-decanol 164.44
    triethyl phosphate 172.64
    4-methyl-2-pentanol 280.32
    propionitrile 464.56
    vinylene carbonate 273.07
    1,1,2-trichlorotrifluoroethane 318.7
    DMS 347.26
    cumene 202.81
    2-octanol 171.14
    2-hexanone 373.11
    octyl acetate 226.82
    limonene 241.69
    1,2-dimethoxyethane 754.42
    ethyl orthosilicate 187.95
    tributyl phosphate 142.01
    diacetone alcohol 424.09
    N,N-dimethylaniline 299.18
    acrylonitrile 397.05
    aniline 341.73
    1,3-propanediol 283.33
    bromobenzene 412.13
    dibromomethane 516.29
    1,1,2,2-tetrachloroethane 627.98
    2-methyl-cyclohexyl acetate 276.33
    tetrabutyl urea 164.5
    diisobutyl methanol 236.22
    2-phenylethanol 360.8
    styrene 281.33
    dioctyl adipate 209.3
    dimethyl sulfate 229.56
    ethyl butyrate 360.2
    methyl lactate 206.12
    butyl lactate 191.79
    diethyl carbonate 237.99
    propanediol butyl ether 253.48
    triethyl orthoformate 271.54
    p-tert-butyltoluene 218.92
    methyl 4-tert-butylbenzoate 316.95
    morpholine 945.44
    tert-butylamine 408.15
    n-dodecanol 133.75
    dimethoxymethane 652.15
    ethylene carbonate 268.88
    cyrene 201.03
    2-ethoxyethyl acetate 427.7
    2-ethylhexyl acetate 410.45
    1,2,4-trichlorobenzene 343.6
    4-methylpyridine 557.76
    dibutyl ether 356.79
    2,6-dimethyl-4-heptanol 236.22
    DEF 414.51
    dimethyl isosorbide 509.94
    tetrachloroethylene 404.09
    eugenol 275.23
    triacetin 305.56
    span 80 264.72
    1,4-butanediol 114.22
    1,1-dichloroethane 637.32
    2-methyl-1-pentanol 255.55
    methyl formate 172.8
    2-methyl-1-butanol 354.85
    n-decane 74.65
    butyronitrile 442.76
    3,7-dimethyl-1-octanol 260.08
    1-chlorooctane 201.36
    1-chlorotetradecane 100.39
    n-nonane 71.15
    undecane 58.96
    tert-butylcyclohexane 113.36
    cyclooctane 89.22
    cyclopentanol 303.26
    tetrahydropyran 947.77
    tert-amyl methyl ether 506.34
    2,5,8-trioxanonane 515.71
    1-hexene 302.26
    2-isopropoxyethanol 320.19
    2,2,2-trifluoroethanol 86.07
    methyl butyrate 337.06

    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
Mango (India) 1c cv. Desi 90063-86-8 Mangifera indica L. cv. Desi, fam. Anacardiaceae 0.1%