1-(2,3,3a,4,5,6-Hexahydro-1,1,3-trimethyl-1H-inden-5-yl)ethan-1-one

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  • Identifiers

    CAS number
    77628-62-7

    Molecular formula
    C14H22O

    SMILES
    CC1CC(C2=CCC(CC12)C(=O)C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 87.8%
    Amber 50.8%
    Cedar 47.5%
    Dry 46.29%
    Orris 42.96%
    Floral 39.25%
    Vetiver 38.44%
    Herbal 37.18%
    Musk 35.85%
    Camphoreous 34.98%

     

    Flavor
    Woody 57.56%
    Sweet 49.84%
    Herbal 39.0%
    Minty 38.03%
    Fruity 35.38%
    Mint 34.1%
    Camphor 32.03%
    Spicy 31.13%
    Dry 29.15%
    Floral 28.76%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    9.32 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    282°C

    Flash point

    • 121.24 ˚C est.

  • Synonyms

    • 77628-62-7
    • EINECS 278-734-8
    • 1-(2,3,3a,4,5,6-Hexahydro-1,1,3-trimethyl-1H-inden-5-yl)ethan-1-one
    • SCHEMBL11361152
    • DTXSID30998845
    • WXBXKFWYTYPIGQ-UHFFFAOYSA-N
    • 1-(1,1,3-Trimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl)ethan-1-one
    • NS00059535
    • 77628-62-7

  • Applications

    1-(2,3,3a,4,5,6-Hexahydro-1,1,3-trimethyl-1H-inden-5-yl)ethan-1-one (CAS 77628-62-7) may be used primarily as a fragrance ingredient, acting as an odorant and, where applicable, a fixative in perfume formulations; in cosmetics and personal care, it may be employed as a fragrance additive; in household products such as air fresheners, it may function as a scent ingredient; and in industrial manufacturing it may serve as an intermediate in the synthesis of aroma chemicals for fragrance development, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1292.32
    methanol 1353.49
    isopropanol 1088.93
    water 5.18
    ethyl acetate 2321.58
    n-propanol 1356.27
    acetone 2426.86
    n-butanol 1222.95
    acetonitrile 2144.34
    DMF 2210.09
    toluene 2705.0
    isobutanol 1056.9
    1,4-dioxane 3628.38
    methyl acetate 1795.12
    THF 3954.07
    2-butanone 1982.35
    n-pentanol 483.07
    sec-butanol 835.39
    n-hexane 173.42
    ethylene glycol 227.66
    NMP 1552.96
    cyclohexane 564.09
    DMSO 1020.75
    n-butyl acetate 1135.31
    n-octanol 281.75
    chloroform 4735.87
    n-propyl acetate 800.21
    acetic acid 1033.74
    dichloromethane 3598.95
    cyclohexanone 2554.49
    propylene glycol 314.99
    isopropyl acetate 1682.53
    DMAc 1495.11
    2-ethoxyethanol 689.45
    isopentanol 1144.6
    n-heptane 77.26
    ethyl formate 1032.1
    1,2-dichloroethane 2420.66
    n-hexanol 872.43
    2-methoxyethanol 1589.96
    isobutyl acetate 567.33
    tetrachloromethane 960.79
    n-pentyl acetate 657.6
    transcutol 4228.49
    n-heptanol 348.98
    ethylbenzene 774.25
    MIBK 1135.43
    2-propoxyethanol 1468.9
    tert-butanol 1163.85
    MTBE 1743.55
    2-butoxyethanol 670.79
    propionic acid 888.34
    o-xylene 1123.4
    formic acid 443.99
    diethyl ether 2402.17
    m-xylene 1545.55
    p-xylene 880.57
    chlorobenzene 2205.87
    dimethyl carbonate 825.2
    n-octane 25.73
    formamide 770.86
    cyclopentanone 2478.45
    2-pentanone 1778.01
    anisole 1276.26
    cyclopentyl methyl ether 2120.29
    gamma-butyrolactone 2563.35
    1-methoxy-2-propanol 1259.93
    pyridine 2736.64
    3-pentanone 1504.54
    furfural 2015.92
    n-dodecane 18.12
    diethylene glycol 885.26
    diisopropyl ether 772.53
    tert-amyl alcohol 819.7
    acetylacetone 1917.98
    n-hexadecane 22.86
    acetophenone 907.81
    methyl propionate 1556.06
    isopentyl acetate 1096.06
    trichloroethylene 4337.91
    n-nonanol 250.86
    cyclohexanol 1296.72
    benzyl alcohol 753.6
    2-ethylhexanol 455.38
    isooctanol 285.99
    dipropyl ether 635.64
    1,2-dichlorobenzene 1591.14
    ethyl lactate 308.71
    propylene carbonate 1297.28
    n-methylformamide 1311.77
    2-pentanol 751.83
    n-pentane 228.63
    1-propoxy-2-propanol 841.91
    1-methoxy-2-propyl acetate 1389.88
    2-(2-methoxypropoxy) propanol 619.55
    mesitylene 837.03
    ε-caprolactone 2072.06
    p-cymene 324.05
    epichlorohydrin 3146.39
    1,1,1-trichloroethane 2847.29
    2-aminoethanol 508.09
    morpholine-4-carbaldehyde 2115.33
    sulfolane 1612.42
    2,2,4-trimethylpentane 106.69
    2-methyltetrahydrofuran 2992.94
    n-hexyl acetate 956.25
    isooctane 98.37
    2-(2-butoxyethoxy)ethanol 953.74
    sec-butyl acetate 702.77
    tert-butyl acetate 1434.68
    decalin 178.39
    glycerin 424.85
    diglyme 1906.59
    acrylic acid 758.43
    isopropyl myristate 276.64
    n-butyric acid 1371.63
    acetyl acetate 1395.45
    di(2-ethylhexyl) phthalate 266.64
    ethyl propionate 813.34
    nitromethane 2019.86
    1,2-diethoxyethane 1348.23
    benzonitrile 1308.92
    trioctyl phosphate 175.32
    1-bromopropane 1686.43
    gamma-valerolactone 2961.52
    n-decanol 163.28
    triethyl phosphate 291.05
    4-methyl-2-pentanol 496.75
    propionitrile 1741.25
    vinylene carbonate 1344.75
    1,1,2-trichlorotrifluoroethane 1408.47
    DMS 956.95
    cumene 429.01
    2-octanol 207.43
    2-hexanone 762.28
    octyl acetate 343.52
    limonene 432.95
    1,2-dimethoxyethane 1389.93
    ethyl orthosilicate 299.59
    tributyl phosphate 258.84
    diacetone alcohol 979.06
    N,N-dimethylaniline 720.81
    acrylonitrile 1759.19
    aniline 2104.49
    1,3-propanediol 778.95
    bromobenzene 2378.65
    dibromomethane 2473.38
    1,1,2,2-tetrachloroethane 3202.13
    2-methyl-cyclohexyl acetate 519.99
    tetrabutyl urea 279.1
    diisobutyl methanol 267.48
    2-phenylethanol 881.54
    styrene 980.22
    dioctyl adipate 363.2
    dimethyl sulfate 880.97
    ethyl butyrate 653.59
    methyl lactate 521.56
    butyl lactate 462.72
    diethyl carbonate 440.17
    propanediol butyl ether 539.1
    triethyl orthoformate 481.76
    p-tert-butyltoluene 329.34
    methyl 4-tert-butylbenzoate 623.31
    morpholine 3578.9
    tert-butylamine 908.55
    n-dodecanol 112.4
    dimethoxymethane 1915.8
    ethylene carbonate 1253.29
    cyrene 466.97
    2-ethoxyethyl acetate 1111.31
    2-ethylhexyl acetate 849.05
    1,2,4-trichlorobenzene 1809.41
    4-methylpyridine 3072.69
    dibutyl ether 461.94
    2,6-dimethyl-4-heptanol 267.48
    DEF 1600.65
    dimethyl isosorbide 1046.46
    tetrachloroethylene 2106.7
    eugenol 558.57
    triacetin 742.38
    span 80 484.61
    1,4-butanediol 207.36
    1,1-dichloroethane 2821.87
    2-methyl-1-pentanol 492.96
    methyl formate 1037.26
    2-methyl-1-butanol 988.93
    n-decane 37.2
    butyronitrile 1616.79
    3,7-dimethyl-1-octanol 351.05
    1-chlorooctane 228.68
    1-chlorotetradecane 72.87
    n-nonane 35.04
    undecane 24.7
    tert-butylcyclohexane 135.91
    cyclooctane 178.12
    cyclopentanol 1045.73
    tetrahydropyran 3839.91
    tert-amyl methyl ether 1029.49
    2,5,8-trioxanonane 997.81
    1-hexene 530.19
    2-isopropoxyethanol 513.56
    2,2,2-trifluoroethanol 524.1
    methyl butyrate 893.54

    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