(1aR,4aS,7R,7aR,7bS)-1a,2,4a,5,6,7,7a,7b-Octahydro-1,1,4,7-tetramethyl-1H-cycloprop(e)azulene

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  • Identifiers

    CAS number
    112421-20-2

    Molecular formula
    C15H24

    SMILES
    C[C@@H]1CC[C@H]2[C@@H]1[C@H]3[C@H](C3(C)C)CC=C2C

  • Odor profile

    Woody 83.38%
    Herbal 57.0%
    Spicy 53.38%
    Fresh 47.63%
    Sweet 46.3%
    Dry 39.9%
    Balsamic 39.8%
    Pine 39.54%
    Green 36.92%
    Terpenic 36.4%

    Scent© AI

  • Properties

    XLogP3-AA
    4.5

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    269°C

    Flash point est.
    75.73 ˚C

  • Synonyms

    • 112421-20-2
    • (1aR,4aS,7R,7aR,7bS)-1a,2,4a,5,6,7,7a,7b-Octahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulene
    • (1aR,4aS,7R,7aR,7bS)-1a,2,4a,5,6,7,7a,7b-Octahydro-1,1,4,7-tetramethyl-1H-cycloprop(e)azulene
    • DTXSID701119100

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 158.69
    methanol 70.09
    isopropanol 221.49
    water 0.21
    ethyl acetate 332.67
    n-propanol 214.22
    acetone 376.73
    n-butanol 248.46
    acetonitrile 162.32
    DMF 290.46
    toluene 480.03
    isobutanol 209.51
    1,4-dioxane 706.89
    methyl acetate 280.33
    THF 1248.7
    2-butanone 405.09
    n-pentanol 152.69
    sec-butanol 207.55
    n-hexane 96.67
    ethylene glycol 26.08
    NMP 262.29
    cyclohexane 214.08
    DMSO 177.97
    n-butyl acetate 403.9
    n-octanol 202.13
    chloroform 612.06
    n-propyl acetate 225.78
    acetic acid 76.72
    dichloromethane 475.26
    cyclohexanone 568.54
    propylene glycol 52.88
    isopropyl acetate 329.69
    DMAc 269.04
    2-ethoxyethanol 172.3
    isopentanol 239.39
    n-heptane 146.54
    ethyl formate 158.51
    1,2-dichloroethane 363.31
    n-hexanol 338.02
    2-methoxyethanol 228.34
    isobutyl acetate 234.36
    tetrachloromethane 167.59
    n-pentyl acetate 272.09
    transcutol 442.0
    n-heptanol 190.99
    ethylbenzene 238.96
    MIBK 334.03
    2-propoxyethanol 390.06
    tert-butanol 279.12
    MTBE 469.5
    2-butoxyethanol 250.54
    propionic acid 115.93
    o-xylene 267.82
    formic acid 12.73
    diethyl ether 448.24
    m-xylene 345.19
    p-xylene 285.72
    chlorobenzene 337.99
    dimethyl carbonate 131.67
    n-octane 67.01
    formamide 26.91
    cyclopentanone 691.34
    2-pentanone 392.48
    anisole 325.79
    cyclopentyl methyl ether 558.11
    gamma-butyrolactone 505.32
    1-methoxy-2-propanol 252.68
    pyridine 491.27
    3-pentanone 317.73
    furfural 316.7
    n-dodecane 52.97
    diethylene glycol 182.92
    diisopropyl ether 228.67
    tert-amyl alcohol 218.13
    acetylacetone 406.3
    n-hexadecane 61.85
    acetophenone 257.91
    methyl propionate 256.69
    isopentyl acetate 449.62
    trichloroethylene 521.0
    n-nonanol 190.64
    cyclohexanol 280.76
    benzyl alcohol 197.49
    2-ethylhexanol 242.9
    isooctanol 169.95
    dipropyl ether 378.79
    1,2-dichlorobenzene 293.74
    ethyl lactate 112.14
    propylene carbonate 286.42
    n-methylformamide 99.5
    2-pentanol 202.91
    n-pentane 117.28
    1-propoxy-2-propanol 341.69
    1-methoxy-2-propyl acetate 426.36
    2-(2-methoxypropoxy) propanol 234.48
    mesitylene 246.37
    ε-caprolactone 423.86
    p-cymene 214.96
    epichlorohydrin 546.79
    1,1,1-trichloroethane 423.26
    2-aminoethanol 60.77
    morpholine-4-carbaldehyde 357.31
    sulfolane 406.4
    2,2,4-trimethylpentane 64.69
    2-methyltetrahydrofuran 751.67
    n-hexyl acetate 380.25
    isooctane 75.13
    2-(2-butoxyethoxy)ethanol 294.71
    sec-butyl acetate 216.56
    tert-butyl acetate 373.28
    decalin 98.92
    glycerin 61.73
    diglyme 503.9
    acrylic acid 81.76
    isopropyl myristate 202.22
    n-butyric acid 205.62
    acetyl acetate 237.62
    di(2-ethylhexyl) phthalate 152.85
    ethyl propionate 231.01
    nitromethane 147.37
    1,2-diethoxyethane 333.19
    benzonitrile 265.72
    trioctyl phosphate 133.75
    1-bromopropane 369.96
    gamma-valerolactone 574.01
    n-decanol 151.72
    triethyl phosphate 154.11
    4-methyl-2-pentanol 168.89
    propionitrile 237.08
    vinylene carbonate 246.44
    1,1,2-trichlorotrifluoroethane 226.35
    DMS 247.22
    cumene 175.91
    2-octanol 150.59
    2-hexanone 267.47
    octyl acetate 224.87
    limonene 274.6
    1,2-dimethoxyethane 402.53
    ethyl orthosilicate 158.02
    tributyl phosphate 144.76
    diacetone alcohol 274.32
    N,N-dimethylaniline 208.72
    acrylonitrile 199.44
    aniline 267.54
    1,3-propanediol 117.23
    bromobenzene 424.04
    dibromomethane 410.71
    1,1,2,2-tetrachloroethane 433.5
    2-methyl-cyclohexyl acetate 275.91
    tetrabutyl urea 170.41
    diisobutyl methanol 187.45
    2-phenylethanol 293.26
    styrene 254.94
    dioctyl adipate 206.58
    dimethyl sulfate 143.92
    ethyl butyrate 302.32
    methyl lactate 108.05
    butyl lactate 181.73
    diethyl carbonate 195.37
    propanediol butyl ether 190.52
    triethyl orthoformate 241.37
    p-tert-butyltoluene 228.02
    methyl 4-tert-butylbenzoate 265.27
    morpholine 598.7
    tert-butylamine 216.72
    n-dodecanol 122.81
    dimethoxymethane 362.51
    ethylene carbonate 242.61
    cyrene 200.22
    2-ethoxyethyl acetate 312.39
    2-ethylhexyl acetate 370.42
    1,2,4-trichlorobenzene 314.32
    4-methylpyridine 483.87
    dibutyl ether 279.35
    2,6-dimethyl-4-heptanol 187.45
    DEF 293.39
    dimethyl isosorbide 412.25
    tetrachloroethylene 284.28
    eugenol 206.87
    triacetin 278.82
    span 80 218.92
    1,4-butanediol 60.02
    1,1-dichloroethane 396.77
    2-methyl-1-pentanol 154.38
    methyl formate 94.69
    2-methyl-1-butanol 204.4
    n-decane 85.48
    butyronitrile 284.62
    3,7-dimethyl-1-octanol 206.99
    1-chlorooctane 200.57
    1-chlorotetradecane 94.72
    n-nonane 84.45
    undecane 66.02
    tert-butylcyclohexane 93.09
    cyclooctane 113.12
    cyclopentanol 287.58
    tetrahydropyran 809.08
    tert-amyl methyl ether 298.22
    2,5,8-trioxanonane 336.32
    1-hexene 196.7
    2-isopropoxyethanol 168.49
    2,2,2-trifluoroethanol 40.6
    methyl butyrate 257.63

    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
Cistus 8016-26-0 Cistus ladaniferus L. (C. ladanifer L.), fam. Cistaceae 1.2%