(3R-(3alpha,3abeta,6alpha,7beta,8aalpha))-Octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl propionate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    94200-11-0

    Molecular formula
    C18H30O2

    SMILES
    CCC(=O)O[C@]1(CC[C@@]23C[C@@H]1C([C@@H]2CC[C@H]3C)(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 91.71%
    Amber 62.81%
    Cedar 60.89%
    Dry 56.04%
    Musk 47.03%
    Vetiver 46.06%
    Balsamic 44.37%
    Sandalwood 39.84%
    Earthy 39.83%
    Powdery 38.1%

     

    Flavor
    Sweet 63.36%
    Woody 61.56%
    Pine 55.17%
    Herbal 49.92%
    Camphor 49.45%
    Balsam 43.76%
    Citrus 35.99%
    Dry 32.94%
    Fruit 31.98%
    Green 31.02%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    7.95 (neutral)

    Molecular weight
    278.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    331°C

    Flash point

    • 146.55 ˚C est.

  • Synonyms

    • EINECS 303-488-6
    • 94200-11-0
    • (3R-(3alpha,3abeta,6alpha,7beta,8aalpha))-Octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl propionate
    • 94200-11-0

  • Applications

    For the compound (3R-(3alpha,3abeta,6alpha,7beta,8aalpha))-Octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl propionate (CAS 94200-11-0), typical real-world applications lie in fragrance and related specialty chemicals. In perfumery it is used as an odorant and may serve as a minor fixative to extend scent longevity. In cosmetics and personal care, it functions as a fragrance component in creams, lotions, and shampoos. In household products, it can be added to air fresheners and cleaners for scent profiles. In industrial manufacturing, it is handled as an intermediate in the synthesis of fragrance-related compounds. In polymers, plastics, coatings, and inks, it may be used as a fragrance additive to impart aroma during processing or use.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 539.11
    methanol 589.07
    isopropanol 731.89
    water 7.16
    ethyl acetate 1082.25
    n-propanol 644.19
    acetone 1465.01
    n-butanol 654.23
    acetonitrile 1184.95
    DMF 1869.8
    toluene 1862.4
    isobutanol 596.33
    1,4-dioxane 1950.65
    methyl acetate 919.75
    THF 3748.86
    2-butanone 1097.6
    n-pentanol 256.57
    sec-butanol 471.66
    n-hexane 45.51
    ethylene glycol 111.64
    NMP 1388.43
    cyclohexane 209.69
    DMSO 675.66
    n-butyl acetate 602.92
    n-octanol 174.22
    chloroform 3317.64
    n-propyl acetate 470.03
    acetic acid 657.46
    dichloromethane 2436.79
    cyclohexanone 1927.56
    propylene glycol 168.8
    isopropyl acetate 959.45
    DMAc 1046.95
    2-ethoxyethanol 353.88
    isopentanol 602.06
    n-heptane 31.67
    ethyl formate 577.38
    1,2-dichloroethane 1394.73
    n-hexanol 402.06
    2-methoxyethanol 860.08
    isobutyl acetate 399.12
    tetrachloromethane 510.3
    n-pentyl acetate 440.76
    transcutol 1024.03
    n-heptanol 203.59
    ethylbenzene 440.42
    MIBK 761.53
    2-propoxyethanol 803.58
    tert-butanol 695.82
    MTBE 770.17
    2-butoxyethanol 415.6
    propionic acid 535.97
    o-xylene 686.78
    formic acid 229.31
    diethyl ether 852.65
    m-xylene 1010.05
    p-xylene 592.92
    chlorobenzene 1502.47
    dimethyl carbonate 556.68
    n-octane 14.01
    formamide 406.33
    cyclopentanone 2384.38
    2-pentanone 1047.38
    anisole 704.3
    cyclopentyl methyl ether 1502.23
    gamma-butyrolactone 2478.53
    1-methoxy-2-propanol 868.9
    pyridine 1989.98
    3-pentanone 771.03
    furfural 1632.56
    n-dodecane 12.85
    diethylene glycol 477.21
    diisopropyl ether 342.88
    tert-amyl alcohol 402.63
    acetylacetone 1239.92
    n-hexadecane 16.21
    acetophenone 602.36
    methyl propionate 865.04
    isopentyl acetate 632.27
    trichloroethylene 2674.88
    n-nonanol 160.04
    cyclohexanol 827.21
    benzyl alcohol 507.38
    2-ethylhexanol 225.03
    isooctanol 180.07
    dipropyl ether 270.92
    1,2-dichlorobenzene 1104.52
    ethyl lactate 223.7
    propylene carbonate 1194.93
    n-methylformamide 871.62
    2-pentanol 459.88
    n-pentane 74.15
    1-propoxy-2-propanol 513.98
    1-methoxy-2-propyl acetate 784.68
    2-(2-methoxypropoxy) propanol 320.23
    mesitylene 559.86
    ε-caprolactone 1446.71
    p-cymene 196.18
    epichlorohydrin 2288.88
    1,1,1-trichloroethane 1726.93
    2-aminoethanol 261.77
    morpholine-4-carbaldehyde 1453.72
    sulfolane 1598.7
    2,2,4-trimethylpentane 46.37
    2-methyltetrahydrofuran 1940.22
    n-hexyl acetate 566.64
    isooctane 46.86
    2-(2-butoxyethoxy)ethanol 421.47
    sec-butyl acetate 413.88
    tert-butyl acetate 874.22
    decalin 81.26
    glycerin 271.39
    diglyme 886.95
    acrylic acid 485.37
    isopropyl myristate 192.55
    n-butyric acid 856.08
    acetyl acetate 909.2
    di(2-ethylhexyl) phthalate 205.13
    ethyl propionate 470.61
    nitromethane 1410.38
    1,2-diethoxyethane 464.26
    benzonitrile 959.97
    trioctyl phosphate 143.89
    1-bromopropane 869.37
    gamma-valerolactone 2464.2
    n-decanol 110.45
    triethyl phosphate 196.92
    4-methyl-2-pentanol 322.07
    propionitrile 1034.39
    vinylene carbonate 1179.83
    1,1,2-trichlorotrifluoroethane 936.47
    DMS 606.69
    cumene 252.66
    2-octanol 151.73
    2-hexanone 423.32
    octyl acetate 233.88
    limonene 252.3
    1,2-dimethoxyethane 795.18
    ethyl orthosilicate 193.26
    tributyl phosphate 178.7
    diacetone alcohol 621.14
    N,N-dimethylaniline 412.52
    acrylonitrile 1130.58
    aniline 1189.69
    1,3-propanediol 477.37
    bromobenzene 1653.22
    dibromomethane 1522.03
    1,1,2,2-tetrachloroethane 2001.1
    2-methyl-cyclohexyl acetate 342.02
    tetrabutyl urea 207.51
    diisobutyl methanol 156.1
    2-phenylethanol 547.0
    styrene 549.15
    dioctyl adipate 244.85
    dimethyl sulfate 716.95
    ethyl butyrate 387.62
    methyl lactate 394.31
    butyl lactate 303.18
    diethyl carbonate 285.54
    propanediol butyl ether 299.1
    triethyl orthoformate 281.38
    p-tert-butyltoluene 201.55
    methyl 4-tert-butylbenzoate 479.03
    morpholine 1947.17
    tert-butylamine 448.81
    n-dodecanol 81.12
    dimethoxymethane 1391.23
    ethylene carbonate 1104.71
    cyrene 375.48
    2-ethoxyethyl acetate 623.29
    2-ethylhexyl acetate 478.51
    1,2,4-trichlorobenzene 1126.66
    4-methylpyridine 2081.93
    dibutyl ether 211.41
    2,6-dimethyl-4-heptanol 156.1
    DEF 828.28
    dimethyl isosorbide 700.06
    tetrachloroethylene 1266.28
    eugenol 413.83
    triacetin 497.77
    span 80 292.41
    1,4-butanediol 133.93
    1,1-dichloroethane 1661.07
    2-methyl-1-pentanol 270.8
    methyl formate 702.5
    2-methyl-1-butanol 506.31
    n-decane 24.26
    butyronitrile 952.52
    3,7-dimethyl-1-octanol 194.99
    1-chlorooctane 143.94
    1-chlorotetradecane 54.16
    n-nonane 20.9
    undecane 17.04
    tert-butylcyclohexane 62.97
    cyclooctane 66.4
    cyclopentanol 933.22
    tetrahydropyran 2112.75
    tert-amyl methyl ether 444.44
    2,5,8-trioxanonane 500.75
    1-hexene 181.35
    2-isopropoxyethanol 284.96
    2,2,2-trifluoroethanol 404.05
    methyl butyrate 569.33

    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