Octahydro-4,7-methano-1H-inden-5-yl acetate

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  • Identifiers

    CAS number
    64001-15-6

    Molecular formula
    C12H18O2

    SMILES
    CC(=O)OC1CC2CC1C3C2CCC3

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 75.41%
    Green 74.02%
    Fruity 73.28%
    Floral 71.0%
    Herbal 69.52%
    Fresh 45.09%
    Sweet 40.04%
    Balsamic 39.28%
    Pine 36.74%
    Jasmin 35.95%

     

    Flavor
    Fruity 53.42%
    Sweet 40.75%
    Fruit 36.42%
    Bitter 35.86%
    Herbal 29.25%
    Rose 24.93%
    Tropical 23.39%
    Mint 22.27%
    Plant 22.08%
    Minty 21.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.87 (neutral)

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    254°C

    Flash point

    • 102.41 ˚C est.

  • Synonyms

    • 64001-15-6
    • Octahydro-4,7-methano-1H-inden-5-yl acetate
    • 14362-73-3
    • 4,7-Methano-1H-inden-5-ol, octahydro-, acetate
    • 8-tricyclo[5.2.1.02,6]decanyl acetate
    • 4,7-Methano-1H-inden-5-ol, octahydro-, acetate, (3aR,4S,5R,7S,7aR)-rel-
    • Dihydrodicyclopentadiene acetate
    • 4,7-Methano-1H-inden-5-ol, octahydro-, 5-acetate, (3aR,4S,5R,7S,7aR)-rel-
    • EINECS 238-336-7
    • EINECS 264-598-7
    • tricyclodecyl acetate
    • Hexahydro-4,7-methanoindan-6-yl acetate
    • Hexahydro-4,7-methanoindane-5-yl acetate
    • 4,7-Methano-1H-inden-5-ol, octahydro-, 5-acetate
    • SCHEMBL1357521
    • DTXSID6052324
    • YKFHIJHJBUDXFP-UHFFFAOYSA-N
    • NS00012806
    • (3aalpha,4alpha,5alpha,7alpha,7aalpha)-Octahydro-4,7-methano-1H-inden-5-yl acetate

  • Applications

    Octahydro-4,7-methano-1H-inden-5-yl acetate (CAS 64001-15-6) is primarily used as a fragrance-related material: as an odorant and fixative in perfumery and cosmetics; as a fragrance ingredient in household products; as a synthetic intermediate in fragrance chemistry for industrial manufacturing; and as an aroma-enhancing additive in coatings and inks, with occasional consideration in pharmaceutical research as a chemical building block under regulatory formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1817.63
    methanol 2829.0
    isopropanol 2006.72
    water 11.56
    ethyl acetate 2225.33
    n-propanol 1755.6
    acetone 3047.83
    n-butanol 1472.32
    acetonitrile 2355.99
    DMF 2117.06
    toluene 1384.74
    isobutanol 1291.6
    1,4-dioxane 4235.95
    methyl acetate 1858.81
    THF 3992.88
    2-butanone 1884.15
    n-pentanol 625.06
    sec-butanol 1102.44
    n-hexane 67.6
    ethylene glycol 530.65
    NMP 1060.18
    cyclohexane 233.73
    DMSO 1847.69
    n-butyl acetate 889.61
    n-octanol 236.86
    chloroform 6731.62
    n-propyl acetate 768.24
    acetic acid 1720.97
    dichloromethane 4535.48
    cyclohexanone 2126.73
    propylene glycol 587.71
    isopropyl acetate 1562.1
    DMAc 1154.35
    2-ethoxyethanol 1055.68
    isopentanol 1345.02
    n-heptane 31.94
    ethyl formate 1308.52
    1,2-dichloroethane 2733.28
    n-hexanol 669.73
    2-methoxyethanol 2316.25
    isobutyl acetate 584.05
    tetrachloromethane 824.6
    n-pentyl acetate 446.84
    transcutol 3711.94
    n-heptanol 255.29
    ethylbenzene 393.15
    MIBK 1026.85
    2-propoxyethanol 1384.15
    tert-butanol 1741.41
    MTBE 1746.64
    2-butoxyethanol 628.67
    propionic acid 1302.41
    o-xylene 540.83
    formic acid 870.75
    diethyl ether 1835.61
    m-xylene 747.59
    p-xylene 521.54
    chlorobenzene 1686.55
    dimethyl carbonate 740.94
    n-octane 15.39
    formamide 1191.24
    cyclopentanone 2416.3
    2-pentanone 1626.63
    anisole 933.12
    cyclopentyl methyl ether 1557.49
    gamma-butyrolactone 2662.07
    1-methoxy-2-propanol 1612.54
    pyridine 2783.64
    3-pentanone 1069.9
    furfural 2203.51
    n-dodecane 16.09
    diethylene glycol 1242.34
    diisopropyl ether 499.82
    tert-amyl alcohol 838.5
    acetylacetone 1866.2
    n-hexadecane 19.44
    acetophenone 652.96
    methyl propionate 1303.77
    isopentyl acetate 808.26
    trichloroethylene 4727.37
    n-nonanol 202.71
    cyclohexanol 1176.62
    benzyl alcohol 726.03
    2-ethylhexanol 285.13
    isooctanol 210.44
    dipropyl ether 360.25
    1,2-dichlorobenzene 1195.5
    ethyl lactate 334.09
    propylene carbonate 1544.73
    n-methylformamide 1820.91
    2-pentanol 839.07
    n-pentane 97.1
    1-propoxy-2-propanol 751.99
    1-methoxy-2-propyl acetate 1013.62
    2-(2-methoxypropoxy) propanol 526.04
    mesitylene 431.49
    ε-caprolactone 1747.33
    p-cymene 171.01
    epichlorohydrin 3294.58
    1,1,1-trichloroethane 2745.43
    2-aminoethanol 923.42
    morpholine-4-carbaldehyde 1703.5
    sulfolane 1614.49
    2,2,4-trimethylpentane 55.74
    2-methyltetrahydrofuran 2482.62
    n-hexyl acetate 637.0
    isooctane 58.68
    2-(2-butoxyethoxy)ethanol 821.62
    sec-butyl acetate 624.35
    tert-butyl acetate 1114.85
    decalin 80.37
    glycerin 798.12
    diglyme 1673.77
    acrylic acid 1139.35
    isopropyl myristate 198.22
    n-butyric acid 1857.55
    acetyl acetate 1403.12
    di(2-ethylhexyl) phthalate 210.38
    ethyl propionate 649.66
    nitromethane 3077.24
    1,2-diethoxyethane 1087.07
    benzonitrile 1251.71
    trioctyl phosphate 133.05
    1-bromopropane 1416.53
    gamma-valerolactone 2930.5
    n-decanol 139.85
    triethyl phosphate 199.75
    4-methyl-2-pentanol 505.79
    propionitrile 1780.03
    vinylene carbonate 1526.8
    1,1,2-trichlorotrifluoroethane 1704.51
    DMS 641.1
    cumene 246.26
    2-octanol 164.11
    2-hexanone 751.25
    octyl acetate 239.73
    limonene 211.88
    1,2-dimethoxyethane 1920.07
    ethyl orthosilicate 209.02
    tributyl phosphate 193.0
    diacetone alcohol 955.33
    N,N-dimethylaniline 443.57
    acrylonitrile 2061.99
    aniline 1561.72
    1,3-propanediol 1363.68
    bromobenzene 1744.42
    dibromomethane 2781.76
    1,1,2,2-tetrachloroethane 3712.24
    2-methyl-cyclohexyl acetate 328.37
    tetrabutyl urea 200.06
    diisobutyl methanol 203.42
    2-phenylethanol 647.92
    styrene 556.46
    dioctyl adipate 256.63
    dimethyl sulfate 751.95
    ethyl butyrate 484.29
    methyl lactate 590.59
    butyl lactate 361.24
    diethyl carbonate 340.59
    propanediol butyl ether 568.43
    triethyl orthoformate 344.4
    p-tert-butyltoluene 171.67
    methyl 4-tert-butylbenzoate 439.4
    morpholine 3814.94
    tert-butylamine 1022.02
    n-dodecanol 104.1
    dimethoxymethane 1858.33
    ethylene carbonate 1504.07
    cyrene 406.91
    2-ethoxyethyl acetate 810.7
    2-ethylhexyl acetate 552.97
    1,2,4-trichlorobenzene 1325.06
    4-methylpyridine 2486.53
    dibutyl ether 319.63
    2,6-dimethyl-4-heptanol 203.42
    DEF 1085.87
    dimethyl isosorbide 792.95
    tetrachloroethylene 2414.51
    eugenol 444.37
    triacetin 574.05
    span 80 408.2
    1,4-butanediol 420.5
    1,1-dichloroethane 3411.84
    2-methyl-1-pentanol 536.25
    methyl formate 1395.47
    2-methyl-1-butanol 973.78
    n-decane 26.62
    butyronitrile 1623.63
    3,7-dimethyl-1-octanol 275.24
    1-chlorooctane 153.88
    1-chlorotetradecane 61.81
    n-nonane 23.61
    undecane 19.92
    tert-butylcyclohexane 70.62
    cyclooctane 65.69
    cyclopentanol 1322.28
    tetrahydropyran 3441.0
    tert-amyl methyl ether 711.27
    2,5,8-trioxanonane 903.55
    1-hexene 306.49
    2-isopropoxyethanol 709.63
    2,2,2-trifluoroethanol 828.69
    methyl butyrate 847.54

    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