CID 102303030

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    88395-46-4

    Molecular formula
    C15H24O

    SMILES
    CC1=C2CC[C@]([C@H]2[C@H]3[C@H](C3(C)C)CC1)(C)O

  • Odor profile

    Woody 73.83%
    Sweet 49.59%
    Spicy 47.49%
    Balsamic 44.09%
    Amber 43.92%
    Earthy 42.27%
    Dry 38.46%
    Fruity 38.43%
    Cedar 36.51%
    Musk 34.78%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.83 (weak base)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    331°C

    Flash point est.
    96.99 ˚C

  • Synonyms

    • Isospathulenol
    • CHEBI:167423
    • DTXSID801317331
    • 88395-46-4
    • (1aR,7S,7aS,7bR)-1,1,4,7-tetramethyl-2,3,5,6,7a,7b-hexahydro-1aH-cyclopropa[h]azulen-7-ol

  • Applications

    I cannot locate reliable public information detailing specific, validated applications for the compound with PubChem CID 102303030 (CAS 88395-46-4); nevertheless, depending on its structure and physicochemical profile, typical avenues explored for analogous small molecules include: (i) analytical/reference standards for developing, validating, and QC of LC-MS/GC-MS methods and residue monitoring; (ii) synthetic intermediates or scaffolds for medicinal chemistry optimization and SAR library building; (iii) biochemical or biological probes and screening leads to assess target engagement, in vitro ADME, and cytotoxicity; (iv) agrochemical leads if antifungal, herbicidal, or insecticidal activity is observed; (v) functional organic materials such as dyes, sensors, or organic semiconductors when extended aromatic conjugation is present; and (vi) ligands or chelators in coordination chemistry when heteroatom-bearing heterocycles exist, with any use contingent on obtaining the SDS, performing hazard and regulatory assessments, and verifying suitability via the literature, patents, and supplier catalogs.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 136.85
    methanol 115.53
    isopropanol 163.41
    water 0.58
    ethyl acetate 134.82
    n-propanol 147.52
    acetone 207.94
    n-butanol 139.9
    acetonitrile 104.26
    DMF 280.34
    toluene 136.99
    isobutanol 123.68
    1,4-dioxane 285.93
    methyl acetate 154.3
    THF 512.39
    2-butanone 219.1
    n-pentanol 88.85
    sec-butanol 117.93
    n-hexane 10.46
    ethylene glycol 45.34
    NMP 156.39
    cyclohexane 22.21
    DMSO 165.56
    n-butyl acetate 131.38
    n-octanol 91.11
    chloroform 334.23
    n-propyl acetate 96.73
    acetic acid 60.37
    dichloromethane 226.44
    cyclohexanone 255.33
    propylene glycol 72.65
    isopropyl acetate 123.96
    DMAc 220.33
    2-ethoxyethanol 138.85
    isopentanol 126.0
    n-heptane 15.46
    ethyl formate 105.06
    1,2-dichloroethane 139.09
    n-hexanol 148.59
    2-methoxyethanol 232.47
    isobutyl acetate 99.87
    tetrachloromethane 58.71
    n-pentyl acetate 116.61
    transcutol 200.48
    n-heptanol 95.14
    ethylbenzene 80.79
    MIBK 140.1
    2-propoxyethanol 252.67
    tert-butanol 163.38
    MTBE 158.62
    2-butoxyethanol 160.99
    propionic acid 81.68
    o-xylene 81.06
    formic acid 22.59
    diethyl ether 134.39
    m-xylene 101.07
    p-xylene 104.07
    chlorobenzene 127.13
    dimethyl carbonate 76.52
    n-octane 10.43
    formamide 42.5
    cyclopentanone 326.78
    2-pentanone 178.44
    anisole 146.79
    cyclopentyl methyl ether 165.62
    gamma-butyrolactone 258.0
    1-methoxy-2-propanol 212.95
    pyridine 219.2
    3-pentanone 134.9
    furfural 214.16
    n-dodecane 10.93
    diethylene glycol 181.42
    diisopropyl ether 53.28
    tert-amyl alcohol 114.56
    acetylacetone 182.55
    n-hexadecane 12.64
    acetophenone 130.6
    methyl propionate 132.04
    isopentyl acetate 147.4
    trichloroethylene 249.86
    n-nonanol 86.04
    cyclohexanol 113.66
    benzyl alcohol 121.19
    2-ethylhexanol 88.8
    isooctanol 80.12
    dipropyl ether 86.92
    1,2-dichlorobenzene 112.87
    ethyl lactate 80.76
    propylene carbonate 143.11
    n-methylformamide 112.44
    2-pentanol 98.13
    n-pentane 14.19
    1-propoxy-2-propanol 178.23
    1-methoxy-2-propyl acetate 179.34
    2-(2-methoxypropoxy) propanol 138.3
    mesitylene 61.77
    ε-caprolactone 190.61
    p-cymene 64.1
    epichlorohydrin 298.79
    1,1,1-trichloroethane 149.53
    2-aminoethanol 84.8
    morpholine-4-carbaldehyde 236.31
    sulfolane 226.5
    2,2,4-trimethylpentane 10.21
    2-methyltetrahydrofuran 255.17
    n-hexyl acetate 157.95
    isooctane 11.29
    2-(2-butoxyethoxy)ethanol 161.25
    sec-butyl acetate 86.25
    tert-butyl acetate 129.31
    decalin 15.97
    glycerin 90.43
    diglyme 260.5
    acrylic acid 69.4
    isopropyl myristate 71.81
    n-butyric acid 117.13
    acetyl acetate 94.78
    di(2-ethylhexyl) phthalate 76.7
    ethyl propionate 94.39
    nitromethane 131.29
    1,2-diethoxyethane 112.89
    benzonitrile 148.26
    trioctyl phosphate 61.4
    1-bromopropane 105.73
    gamma-valerolactone 374.04
    n-decanol 67.49
    triethyl phosphate 63.1
    4-methyl-2-pentanol 79.24
    propionitrile 141.22
    vinylene carbonate 146.55
    1,1,2-trichlorotrifluoroethane 181.52
    DMS 118.96
    cumene 61.41
    2-octanol 73.13
    2-hexanone 122.51
    octyl acetate 89.4
    limonene 69.66
    1,2-dimethoxyethane 233.63
    ethyl orthosilicate 59.29
    tributyl phosphate 60.46
    diacetone alcohol 152.06
    N,N-dimethylaniline 101.1
    acrylonitrile 146.9
    aniline 118.06
    1,3-propanediol 122.89
    bromobenzene 133.51
    dibromomethane 159.67
    1,1,2,2-tetrachloroethane 213.18
    2-methyl-cyclohexyl acetate 106.06
    tetrabutyl urea 81.46
    diisobutyl methanol 61.76
    2-phenylethanol 156.29
    styrene 84.65
    dioctyl adipate 82.38
    dimethyl sulfate 96.97
    ethyl butyrate 97.05
    methyl lactate 94.04
    butyl lactate 104.98
    diethyl carbonate 73.05
    propanediol butyl ether 136.69
    triethyl orthoformate 79.24
    p-tert-butyltoluene 64.44
    methyl 4-tert-butylbenzoate 131.98
    morpholine 278.56
    tert-butylamine 99.79
    n-dodecanol 53.39
    dimethoxymethane 231.39
    ethylene carbonate 127.11
    cyrene 128.29
    2-ethoxyethyl acetate 144.55
    2-ethylhexyl acetate 115.7
    1,2,4-trichlorobenzene 128.73
    4-methylpyridine 220.7
    dibutyl ether 77.09
    2,6-dimethyl-4-heptanol 61.76
    DEF 142.86
    dimethyl isosorbide 194.72
    tetrachloroethylene 137.06
    eugenol 133.55
    triacetin 131.0
    span 80 116.55
    1,4-butanediol 61.76
    1,1-dichloroethane 163.86
    2-methyl-1-pentanol 81.6
    methyl formate 98.07
    2-methyl-1-butanol 108.27
    n-decane 17.14
    butyronitrile 147.07
    3,7-dimethyl-1-octanol 84.47
    1-chlorooctane 60.07
    1-chlorotetradecane 27.32
    n-nonane 14.49
    undecane 13.4
    tert-butylcyclohexane 16.56
    cyclooctane 10.39
    cyclopentanol 139.36
    tetrahydropyran 257.65
    tert-amyl methyl ether 98.85
    2,5,8-trioxanonane 183.36
    1-hexene 41.5
    2-isopropoxyethanol 120.15
    2,2,2-trifluoroethanol 38.44
    methyl butyrate 119.43

    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
Clary sage 1 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 0.01%
Blackcurrant bud 2 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.1%
Clary sage leaf 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 0.01%
Clary sage flower 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 0.01%
Blackcurrant bud 3 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.09%
Juniper leaf (France) 8012-91-7 Juniperus communis L., fam. Cupressaceae 0.01%
Hyssop (Montenegro) 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 0.1%
Pelargonium sidoides Pelargonium sidoides DC., fam. Geraniaceae 0.9%
Eucalyptus globulus (Spain) 2a old leaves 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.48%
Eucalyptus globulus (Spain) 2b young leaves 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.77%
Eucalyptus globulus (Spain) 2c mature fruits 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.01%
Eucalyptus globulus (Yugoslavia) 1a leaves 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.01%
Eugenia klappenbachiana (Brazil) Eugenia klappenbachiana Mattos et D. Legrand, fam. Myrtaceae 3.3%
Salvia aucheri (Turkey) 1b var. canenscens Salvia aucheri Benth. var. canenscens, fam. Lamiaceae (Labiatae) 0.05%
Teucrium salviastrum (Portugal) Teucrium salviastrum Schreber, fam. Lamiaceae (Lagiatae) 0.1%