5-Isopropylbicyclo[3.1.0]hex-2-ene-2-carbaldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C10H14O

    SMILES
    CC(C)C12CC=C(C1C2)C=O

    Retention indicies (RI)

    • DB5: 1182.0

  • Odor profile

    Green 76.28%
    Woody 62.06%
    Spicy 49.75%
    Herbal 49.22%
    Fatty 38.35%
    Aldehydic 37.24%
    Fresh 36.63%
    Oily 33.75%
    Mint 30.26%
    Citrus 29.5%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    221°C

    Flash point est.
    79.42 ˚C

  • Synonyms

    • .alpha.-Thujenal
    • 5-Isopropylbicyclo[3.1.0]hex-2-ene-2-carbaldehyde
    • 57129-54-1
    • SCHEMBL25267873
    • YZNIFKFTGCAOST-UHFFFAOYSA-N
    • DB-253439
    • Bicyclo[3.1.0]hex-2-ene-2-carboxaldehyde, 5-(1-methylethyl)-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 666.12
    methanol 434.9
    isopropanol 594.85
    water 1.97
    ethyl acetate 1340.07
    n-propanol 612.04
    acetone 1539.74
    n-butanol 504.17
    acetonitrile 1207.36
    DMF 1179.63
    toluene 493.98
    isobutanol 432.73
    1,4-dioxane 1620.51
    methyl acetate 1414.18
    THF 2164.35
    2-butanone 1286.5
    n-pentanol 215.59
    sec-butanol 392.03
    n-hexane 23.35
    ethylene glycol 154.18
    NMP 591.32
    cyclohexane 69.3
    DMSO 723.3
    n-butyl acetate 479.38
    n-octanol 84.93
    chloroform 2228.24
    n-propyl acetate 468.6
    acetic acid 472.72
    dichloromethane 2193.77
    cyclohexanone 1016.46
    propylene glycol 185.41
    isopropyl acetate 785.89
    DMAc 726.68
    2-ethoxyethanol 442.23
    isopentanol 401.39
    n-heptane 23.8
    ethyl formate 604.65
    1,2-dichloroethane 1487.1
    n-hexanol 261.23
    2-methoxyethanol 931.07
    isobutyl acetate 292.7
    tetrachloromethane 289.52
    n-pentyl acetate 231.44
    transcutol 1594.34
    n-heptanol 108.3
    ethylbenzene 187.28
    MIBK 532.97
    2-propoxyethanol 638.82
    tert-butanol 613.16
    MTBE 776.46
    2-butoxyethanol 318.68
    propionic acid 517.12
    o-xylene 250.95
    formic acid 198.88
    diethyl ether 895.82
    m-xylene 299.53
    p-xylene 274.02
    chlorobenzene 628.98
    dimethyl carbonate 473.73
    n-octane 10.99
    formamide 508.84
    cyclopentanone 1591.78
    2-pentanone 914.22
    anisole 530.74
    cyclopentyl methyl ether 708.16
    gamma-butyrolactone 1606.53
    1-methoxy-2-propanol 717.78
    pyridine 1218.81
    3-pentanone 694.96
    furfural 970.98
    n-dodecane 9.74
    diethylene glycol 488.06
    diisopropyl ether 265.06
    tert-amyl alcohol 375.33
    acetylacetone 1106.44
    n-hexadecane 11.85
    acetophenone 408.01
    methyl propionate 930.59
    isopentyl acetate 442.48
    trichloroethylene 2357.98
    n-nonanol 86.67
    cyclohexanol 327.6
    benzyl alcohol 307.39
    2-ethylhexanol 145.04
    isooctanol 99.87
    dipropyl ether 249.47
    1,2-dichlorobenzene 525.02
    ethyl lactate 190.49
    propylene carbonate 694.55
    n-methylformamide 758.24
    2-pentanol 325.47
    n-pentane 39.95
    1-propoxy-2-propanol 380.19
    1-methoxy-2-propyl acetate 687.36
    2-(2-methoxypropoxy) propanol 303.81
    mesitylene 180.41
    ε-caprolactone 816.76
    p-cymene 111.35
    epichlorohydrin 1980.65
    1,1,1-trichloroethane 1269.58
    2-aminoethanol 298.55
    morpholine-4-carbaldehyde 857.15
    sulfolane 870.63
    2,2,4-trimethylpentane 25.48
    2-methyltetrahydrofuran 1278.57
    n-hexyl acetate 312.6
    isooctane 28.46
    2-(2-butoxyethoxy)ethanol 428.95
    sec-butyl acetate 363.41
    tert-butyl acetate 712.81
    decalin 35.9
    glycerin 241.39
    diglyme 875.53
    acrylic acid 420.45
    isopropyl myristate 132.14
    n-butyric acid 632.9
    acetyl acetate 702.94
    di(2-ethylhexyl) phthalate 119.78
    ethyl propionate 477.17
    nitromethane 1332.51
    1,2-diethoxyethane 601.3
    benzonitrile 474.36
    trioctyl phosphate 77.03
    1-bromopropane 684.88
    gamma-valerolactone 1490.18
    n-decanol 68.1
    triethyl phosphate 140.86
    4-methyl-2-pentanol 209.49
    propionitrile 866.62
    vinylene carbonate 668.96
    1,1,2-trichlorotrifluoroethane 679.68
    DMS 502.37
    cumene 122.42
    2-octanol 72.98
    2-hexanone 393.39
    octyl acetate 156.53
    limonene 136.38
    1,2-dimethoxyethane 824.34
    ethyl orthosilicate 136.52
    tributyl phosphate 103.88
    diacetone alcohol 555.42
    N,N-dimethylaniline 242.97
    acrylonitrile 977.53
    aniline 545.3
    1,3-propanediol 494.32
    bromobenzene 662.23
    dibromomethane 1250.86
    1,1,2,2-tetrachloroethane 1461.3
    2-methyl-cyclohexyl acetate 229.74
    tetrabutyl urea 115.81
    diisobutyl methanol 115.09
    2-phenylethanol 351.81
    styrene 251.31
    dioctyl adipate 176.59
    dimethyl sulfate 457.23
    ethyl butyrate 342.7
    methyl lactate 319.03
    butyl lactate 174.89
    diethyl carbonate 250.37
    propanediol butyl ether 216.73
    triethyl orthoformate 208.61
    p-tert-butyltoluene 116.43
    methyl 4-tert-butylbenzoate 285.68
    morpholine 1526.86
    tert-butylamine 351.39
    n-dodecanol 54.04
    dimethoxymethane 989.57
    ethylene carbonate 593.04
    cyrene 255.22
    2-ethoxyethyl acetate 516.55
    2-ethylhexyl acetate 306.01
    1,2,4-trichlorobenzene 594.2
    4-methylpyridine 966.59
    dibutyl ether 158.21
    2,6-dimethyl-4-heptanol 115.09
    DEF 658.09
    dimethyl isosorbide 505.28
    tetrachloroethylene 880.6
    eugenol 251.13
    triacetin 338.41
    span 80 210.71
    1,4-butanediol 136.12
    1,1-dichloroethane 1560.24
    2-methyl-1-pentanol 197.18
    methyl formate 635.84
    2-methyl-1-butanol 329.65
    n-decane 14.91
    butyronitrile 658.35
    3,7-dimethyl-1-octanol 120.06
    1-chlorooctane 78.24
    1-chlorotetradecane 37.44
    n-nonane 13.06
    undecane 11.81
    tert-butylcyclohexane 33.55
    cyclooctane 22.55
    cyclopentanol 431.4
    tetrahydropyran 1267.39
    tert-amyl methyl ether 391.09
    2,5,8-trioxanonane 517.13
    1-hexene 107.36
    2-isopropoxyethanol 329.06
    2,2,2-trifluoroethanol 269.29
    methyl butyrate 508.31

    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
Artemisia persica (India) Artemisia persica Boiss., fam. Asteraceae (Compositae) 0.86%
Elaeoselinum gummiferum Elaeoselinum gummiferum (Desf.) Tutin, fam. Apiaceae (Umbelliferae) 0.01%
Pichana (Broom) (Argentina) Baccharis spartioides (Hook. et Arn.) Remy, fam. Asteraceae (Compositae) 0.1%