3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-yl isobutyrate

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  • Identifiers

    CAS number
    67634-20-2

    Molecular formula
    C14H20O2

    SMILES
    CC(C)C(=O)OC1CC2CC1C3C2CC=C3

  • Odor profile

    Fragrance
    Fruity 82.53%
    Green 68.22%
    Woody 66.31%
    Herbal 63.48%
    Floral 61.59%
    Sweet 57.95%
    Balsamic 49.06%
    Oily 47.33%
    Jasmin 44.87%
    Fresh 35.02%

     

    Flavor
    Bitter 56.19%
    Fruity 31.15%
    Cedarleaf 21.97%
    Sweet-like 20.27%
    Fruit 20.25%
    Genet 19.75%
    Broom 19.75%
    Ripe apricot 19.7%
    Heather 19.69%
    Lovage 19.68%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.28 (neutral)

    Molecular weight
    220.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    274°C

    Flash point

    • 109.68 ˚C est.

  • Synonyms

    • 67634-20-2
    • 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5-yl isobutyrate
    • EINECS 266-825-5
    • Tricyclo(5.2.1.02,6)dec-3-en-9-yl isobutyrate
    • 8-tricyclo[5.2.1.02,6]dec-4-enyl 2-methylpropanoate
    • DTXSID2052360
    • Hexahydro-4,7-methanoinden-5(or 6)-yl isobutyrate
    • Propanoic acid, 2-methyl-, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-yl ester
    • 3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-5-yl isobutyrate
    • 3A,4,5,6,7,7A-HEXAHYDRO-4,7-METHANO-1(3)H-INDEN-6-YL ISOBUTYRATE
    • SCHEMBL1627945
    • DTXCID2030932
    • QNEXACLQEWOALO-UHFFFAOYSA-N
    • NS00012542
    • 266-825-5

  • Applications

    3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-yl isobutyrate (CAS 67634-20-2) is commonly used as a fragrance ingredient and a fixative in perfumery and cosmetics, providing odorant properties and helping to stabilize scent profiles. It is also evaluated as an intermediate in fragrance synthesis and related industrial manufacturing. In household cleaning formulations, it may serve as a scent additive to impart lasting aroma. In specialty polymer and coatings applications, the ester can act as a plasticizer or processing aid in certain polymer systems. Overall, use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 994.25
    methanol 1083.05
    isopropanol 994.1
    water 5.15
    ethyl acetate 1138.0
    n-propanol 780.72
    acetone 1093.13
    n-butanol 923.22
    acetonitrile 893.06
    DMF 966.15
    toluene 988.02
    isobutanol 738.27
    1,4-dioxane 1757.14
    methyl acetate 862.09
    THF 1748.38
    2-butanone 926.95
    n-pentanol 581.79
    sec-butanol 705.57
    n-hexane 86.84
    ethylene glycol 149.89
    NMP 515.88
    cyclohexane 171.83
    DMSO 562.58
    n-butyl acetate 923.95
    n-octanol 310.04
    chloroform 3495.51
    n-propyl acetate 780.17
    acetic acid 873.03
    dichloromethane 2508.09
    cyclohexanone 1159.57
    propylene glycol 232.01
    isopropyl acetate 1004.86
    DMAc 798.44
    2-ethoxyethanol 893.81
    isopentanol 1015.91
    n-heptane 45.48
    ethyl formate 728.53
    1,2-dichloroethane 1278.1
    n-hexanol 665.84
    2-methoxyethanol 1205.67
    isobutyl acetate 618.65
    tetrachloromethane 528.4
    n-pentyl acetate 526.45
    transcutol 2789.15
    n-heptanol 338.11
    ethylbenzene 453.23
    MIBK 792.79
    2-propoxyethanol 1103.1
    tert-butanol 918.13
    MTBE 1097.18
    2-butoxyethanol 642.37
    propionic acid 528.03
    o-xylene 499.59
    formic acid 306.15
    diethyl ether 1027.24
    m-xylene 670.6
    p-xylene 635.5
    chlorobenzene 991.98
    dimethyl carbonate 394.57
    n-octane 30.72
    formamide 455.27
    cyclopentanone 1027.24
    2-pentanone 920.98
    anisole 800.88
    cyclopentyl methyl ether 818.47
    gamma-butyrolactone 1087.15
    1-methoxy-2-propanol 1019.38
    pyridine 1401.58
    3-pentanone 637.5
    furfural 1141.03
    n-dodecane 30.45
    diethylene glycol 766.21
    diisopropyl ether 436.14
    tert-amyl alcohol 693.61
    acetylacetone 1033.34
    n-hexadecane 35.41
    acetophenone 695.88
    methyl propionate 670.26
    isopentyl acetate 968.84
    trichloroethylene 2545.19
    n-nonanol 275.3
    cyclohexanol 713.26
    benzyl alcohol 626.9
    2-ethylhexanol 387.6
    isooctanol 310.35
    dipropyl ether 352.24
    1,2-dichlorobenzene 837.98
    ethyl lactate 338.52
    propylene carbonate 878.01
    n-methylformamide 557.98
    2-pentanol 684.82
    n-pentane 105.2
    1-propoxy-2-propanol 735.01
    1-methoxy-2-propyl acetate 851.85
    2-(2-methoxypropoxy) propanol 539.09
    mesitylene 411.85
    ε-caprolactone 1030.47
    p-cymene 224.35
    epichlorohydrin 1519.84
    1,1,1-trichloroethane 1429.76
    2-aminoethanol 367.7
    morpholine-4-carbaldehyde 1023.72
    sulfolane 708.83
    2,2,4-trimethylpentane 82.19
    2-methyltetrahydrofuran 1234.21
    n-hexyl acetate 688.45
    isooctane 91.2
    2-(2-butoxyethoxy)ethanol 822.41
    sec-butyl acetate 663.3
    tert-butyl acetate 873.03
    decalin 107.36
    glycerin 325.4
    diglyme 1397.54
    acrylic acid 462.25
    isopropyl myristate 250.51
    n-butyric acid 1080.79
    acetyl acetate 799.43
    di(2-ethylhexyl) phthalate 242.26
    ethyl propionate 608.7
    nitromethane 1049.79
    1,2-diethoxyethane 1051.43
    benzonitrile 967.49
    trioctyl phosphate 163.81
    1-bromopropane 839.36
    gamma-valerolactone 1414.62
    n-decanol 197.32
    triethyl phosphate 238.87
    4-methyl-2-pentanol 538.55
    propionitrile 751.34
    vinylene carbonate 908.78
    1,1,2-trichlorotrifluoroethane 928.31
    DMS 555.82
    cumene 322.27
    2-octanol 240.28
    2-hexanone 674.05
    octyl acetate 300.25
    limonene 257.11
    1,2-dimethoxyethane 1323.61
    ethyl orthosilicate 246.84
    tributyl phosphate 222.44
    diacetone alcohol 689.96
    N,N-dimethylaniline 454.09
    acrylonitrile 829.33
    aniline 805.19
    1,3-propanediol 731.1
    bromobenzene 1162.13
    dibromomethane 1651.35
    1,1,2,2-tetrachloroethane 1907.08
    2-methyl-cyclohexyl acetate 400.19
    tetrabutyl urea 229.13
    diisobutyl methanol 263.26
    2-phenylethanol 647.6
    styrene 576.91
    dioctyl adipate 301.84
    dimethyl sulfate 378.82
    ethyl butyrate 562.98
    methyl lactate 361.8
    butyl lactate 385.07
    diethyl carbonate 396.79
    propanediol butyl ether 553.16
    triethyl orthoformate 380.46
    p-tert-butyltoluene 215.39
    methyl 4-tert-butylbenzoate 446.86
    morpholine 1617.07
    tert-butylamine 643.9
    n-dodecanol 151.22
    dimethoxymethane 939.7
    ethylene carbonate 814.85
    cyrene 395.87
    2-ethoxyethyl acetate 737.87
    2-ethylhexyl acetate 663.38
    1,2,4-trichlorobenzene 875.88
    4-methylpyridine 1551.33
    dibutyl ether 406.83
    2,6-dimethyl-4-heptanol 263.26
    DEF 761.23
    dimethyl isosorbide 704.21
    tetrachloroethylene 1332.02
    eugenol 479.83
    triacetin 576.66
    span 80 409.75
    1,4-butanediol 317.43
    1,1-dichloroethane 1655.09
    2-methyl-1-pentanol 655.42
    methyl formate 504.37
    2-methyl-1-butanol 762.52
    n-decane 48.66
    butyronitrile 1008.17
    3,7-dimethyl-1-octanol 384.66
    1-chlorooctane 212.29
    1-chlorotetradecane 91.12
    n-nonane 43.85
    undecane 37.32
    tert-butylcyclohexane 103.69
    cyclooctane 69.12
    cyclopentanol 571.15
    tetrahydropyran 1515.76
    tert-amyl methyl ether 616.87
    2,5,8-trioxanonane 813.57
    1-hexene 344.54
    2-isopropoxyethanol 718.1
    2,2,2-trifluoroethanol 390.88
    methyl butyrate 828.0

    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