3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl isobutyrate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    93941-73-2

    Molecular formula
    C14H20O2

    SMILES
    CC(C)C(=O)OC1C=CC2C1C3CCC2C3

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 83.05%
    Green 74.22%
    Woody 69.16%
    Herbal 60.84%
    Oily 47.28%
    Floral 45.45%
    Balsamic 44.9%
    Sweet 42.46%
    Jasmin 41.88%
    Fresh 34.27%

     

    Flavor
    Bitter 60.36%
    Fruity 24.14%
    Cedarleaf 21.85%
    Sweet-like 20.51%
    Lovage 19.75%
    Broom 19.61%
    Ripe apricot 19.6%
    Heather 19.49%
    Genet 19.48%
    Sandalwood 19.32%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.18 (neutral)

    Molecular weight
    220.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    268°C

    Flash point

    • 109.93 ˚C est.

  • Synonyms

    • 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl isobutyrate
    • EINECS 300-522-1
    • RefChem:505524
    • 300-522-1
    • 93941-73-2
    • SCHEMBL29827754
    • DTXSID20916977
    • XEWHAZXTDUYYBY-UHFFFAOYSA-N
    • NS00064420
    • 3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-1-yl 2-methylpropanoate
    • 93941-73-2

  • Applications

    3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl isobutyrate (CAS 93941-73-2) is used primarily as a fragrance ingredient and odorant in perfumery, where it contributes woody and green notes and can act as a fixative to help stabilize and extend scent in perfumes and personal care products. It may also be employed in household formulations such as air fresheners and cleaners for aroma contributions. In coatings, inks, and related polymer systems, it can serve as an aroma additive or processing aid, while in fragrance development it is considered as a potential intermediate for constructing additional aroma compounds. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1507.68
    methanol 1603.15
    isopropanol 1470.9
    water 4.08
    ethyl acetate 1951.77
    n-propanol 1233.54
    acetone 1920.62
    n-butanol 1439.03
    acetonitrile 1367.58
    DMF 1533.98
    toluene 1449.96
    isobutanol 1202.35
    1,4-dioxane 2835.73
    methyl acetate 1353.91
    THF 2907.83
    2-butanone 1495.3
    n-pentanol 820.18
    sec-butanol 1132.29
    n-hexane 165.04
    ethylene glycol 203.29
    NMP 853.6
    cyclohexane 351.22
    DMSO 786.43
    n-butyl acetate 1518.8
    n-octanol 436.02
    chloroform 5080.32
    n-propyl acetate 1144.56
    acetic acid 1515.79
    dichloromethane 3587.79
    cyclohexanone 1920.2
    propylene glycol 326.14
    isopropyl acetate 1764.82
    DMAc 1167.01
    2-ethoxyethanol 1175.57
    isopentanol 1630.69
    n-heptane 76.64
    ethyl formate 1098.29
    1,2-dichloroethane 2034.79
    n-hexanol 1014.76
    2-methoxyethanol 1778.35
    isobutyl acetate 905.48
    tetrachloromethane 800.76
    n-pentyl acetate 838.02
    transcutol 4152.4
    n-heptanol 472.3
    ethylbenzene 649.41
    MIBK 1342.9
    2-propoxyethanol 1603.36
    tert-butanol 1470.47
    MTBE 2020.92
    2-butoxyethanol 916.77
    propionic acid 829.23
    o-xylene 711.36
    formic acid 456.83
    diethyl ether 1927.0
    m-xylene 987.57
    p-xylene 886.67
    chlorobenzene 1480.94
    dimethyl carbonate 620.22
    n-octane 47.6
    formamide 676.3
    cyclopentanone 1666.85
    2-pentanone 1610.12
    anisole 1131.38
    cyclopentyl methyl ether 1485.83
    gamma-butyrolactone 1713.43
    1-methoxy-2-propanol 1485.58
    pyridine 2047.86
    3-pentanone 1026.09
    furfural 1612.46
    n-dodecane 42.18
    diethylene glycol 1044.38
    diisopropyl ether 809.1
    tert-amyl alcohol 1094.68
    acetylacetone 1687.63
    n-hexadecane 49.99
    acetophenone 940.63
    methyl propionate 1112.73
    isopentyl acetate 1588.13
    trichloroethylene 3936.26
    n-nonanol 383.7
    cyclohexanol 1279.13
    benzyl alcohol 862.58
    2-ethylhexanol 583.69
    isooctanol 434.63
    dipropyl ether 587.3
    1,2-dichlorobenzene 1222.04
    ethyl lactate 450.43
    propylene carbonate 1341.2
    n-methylformamide 891.51
    2-pentanol 1126.82
    n-pentane 199.05
    1-propoxy-2-propanol 1075.96
    1-methoxy-2-propyl acetate 1360.03
    2-(2-methoxypropoxy) propanol 713.26
    mesitylene 607.31
    ε-caprolactone 1717.57
    p-cymene 309.03
    epichlorohydrin 2378.21
    1,1,1-trichloroethane 2346.14
    2-aminoethanol 510.2
    morpholine-4-carbaldehyde 1602.56
    sulfolane 1072.81
    2,2,4-trimethylpentane 137.6
    2-methyltetrahydrofuran 2192.48
    n-hexyl acetate 1097.53
    isooctane 149.76
    2-(2-butoxyethoxy)ethanol 1150.23
    sec-butyl acetate 1014.01
    tert-butyl acetate 1491.23
    decalin 179.89
    glycerin 450.71
    diglyme 1988.76
    acrylic acid 702.79
    isopropyl myristate 360.46
    n-butyric acid 1837.64
    acetyl acetate 1317.61
    di(2-ethylhexyl) phthalate 324.8
    ethyl propionate 912.52
    nitromethane 1829.25
    1,2-diethoxyethane 1660.71
    benzonitrile 1321.91
    trioctyl phosphate 219.77
    1-bromopropane 1368.88
    gamma-valerolactone 2259.28
    n-decanol 269.41
    triethyl phosphate 321.26
    4-methyl-2-pentanol 839.49
    propionitrile 1085.56
    vinylene carbonate 1333.72
    1,1,2-trichlorotrifluoroethane 1423.39
    DMS 855.2
    cumene 444.79
    2-octanol 351.23
    2-hexanone 983.04
    octyl acetate 437.56
    limonene 389.71
    1,2-dimethoxyethane 1911.62
    ethyl orthosilicate 348.93
    tributyl phosphate 311.62
    diacetone alcohol 1145.03
    N,N-dimethylaniline 625.69
    acrylonitrile 1162.97
    aniline 1230.71
    1,3-propanediol 1093.98
    bromobenzene 1700.38
    dibromomethane 2384.38
    1,1,2,2-tetrachloroethane 3063.66
    2-methyl-cyclohexyl acetate 576.3
    tetrabutyl urea 317.87
    diisobutyl methanol 388.66
    2-phenylethanol 915.57
    styrene 836.24
    dioctyl adipate 414.68
    dimethyl sulfate 559.92
    ethyl butyrate 847.2
    methyl lactate 513.82
    butyl lactate 549.95
    diethyl carbonate 570.35
    propanediol butyl ether 751.07
    triethyl orthoformate 570.83
    p-tert-butyltoluene 303.12
    methyl 4-tert-butylbenzoate 592.28
    morpholine 2739.88
    tert-butylamine 1054.45
    n-dodecanol 203.56
    dimethoxymethane 1470.38
    ethylene carbonate 1248.55
    cyrene 516.53
    2-ethoxyethyl acetate 1136.21
    2-ethylhexyl acetate 1069.38
    1,2,4-trichlorobenzene 1325.61
    4-methylpyridine 2383.25
    dibutyl ether 659.52
    2,6-dimethyl-4-heptanol 388.66
    DEF 1318.89
    dimethyl isosorbide 1000.11
    tetrachloroethylene 2131.38
    eugenol 614.05
    triacetin 807.73
    span 80 573.3
    1,4-butanediol 404.85
    1,1-dichloroethane 2621.66
    2-methyl-1-pentanol 948.91
    methyl formate 770.53
    2-methyl-1-butanol 1266.29
    n-decane 70.18
    butyronitrile 1539.7
    3,7-dimethyl-1-octanol 541.23
    1-chlorooctane 312.84
    1-chlorotetradecane 128.8
    n-nonane 63.97
    undecane 52.1
    tert-butylcyclohexane 164.68
    cyclooctane 133.69
    cyclopentanol 997.81
    tetrahydropyran 2732.09
    tert-amyl methyl ether 1068.95
    2,5,8-trioxanonane 1116.27
    1-hexene 589.44
    2-isopropoxyethanol 978.4
    2,2,2-trifluoroethanol 641.27
    methyl butyrate 1218.93

    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