3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-6-yl butyrate

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  • Identifiers

    CAS number
    17511-61-4

    Molecular formula
    C14H20O2

    SMILES
    CCCC(=O)OC1CC2CC1C3C2C=CC3

    Safety labels

  • Odor profile

    Fragrance
    Fruity 86.59%
    Woody 71.86%
    Green 70.78%
    Herbal 67.69%
    Floral 58.56%
    Jasmin 45.35%
    Balsamic 44.26%
    Sweet 44.22%
    Oily 43.32%
    Fresh 36.74%

     

    Flavor
    Bitter 50.3%
    Fruity 27.22%
    Fruit 22.75%
    Fatty 21.89%
    Cedarleaf 21.66%
    Sweet-like 20.77%
    Lovage 20.31%
    Plant 20.31%
    Alkaline 20.23%
    Genet 20.0%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    6.85 (neutral)

    Molecular weight
    220.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    283°C

    Flash point

    • 117.73 ˚C est.

  • Synonyms

    • 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-6-yl butyrate
    • 17511-61-4
    • 8-tricyclo[5.2.1.02,6]dec-3-enyl butanoate
    • EINECS 241-515-2
    • HVEOFLOFUBUHEQ-UHFFFAOYSA-N
    • SCHEMBL17627722
    • NS00051757
    • 17511-61-4

  • Applications

    3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-6-yl butyrate (CAS 17511-61-4) is primarily considered for fragrance applications as an odorant and potential fixative, with possible use as a fragrance ingredient in perfumery and cosmetics; it may be evaluated for household products to impart lasting aroma; as an intermediate in industrial manufacturing, it can participate in the synthesis of specialty chemicals; and it may be explored for flavor applications as an aroma compound under appropriate regulatory guidance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1682.03
    methanol 1926.06
    isopropanol 1643.11
    water 3.38
    ethyl acetate 1458.86
    n-propanol 1276.56
    acetone 1663.87
    n-butanol 1318.5
    acetonitrile 1332.01
    DMF 1213.5
    toluene 1022.88
    isobutanol 1120.68
    1,4-dioxane 2707.07
    methyl acetate 997.19
    THF 2719.18
    2-butanone 1136.23
    n-pentanol 737.16
    sec-butanol 1002.29
    n-hexane 92.16
    ethylene glycol 219.59
    NMP 696.92
    cyclohexane 269.32
    DMSO 962.37
    n-butyl acetate 973.18
    n-octanol 308.49
    chloroform 4669.01
    n-propyl acetate 766.48
    acetic acid 1250.32
    dichloromethane 3371.19
    cyclohexanone 1604.68
    propylene glycol 355.32
    isopropyl acetate 1171.75
    DMAc 796.34
    2-ethoxyethanol 977.42
    isopentanol 1314.56
    n-heptane 48.13
    ethyl formate 830.2
    1,2-dichloroethane 1768.4
    n-hexanol 835.45
    2-methoxyethanol 1656.67
    isobutyl acetate 595.45
    tetrachloromethane 538.79
    n-pentyl acetate 517.68
    transcutol 3352.49
    n-heptanol 316.69
    ethylbenzene 380.32
    MIBK 901.51
    2-propoxyethanol 1303.95
    tert-butanol 1335.69
    MTBE 1355.78
    2-butoxyethanol 651.73
    propionic acid 719.02
    o-xylene 447.68
    formic acid 404.27
    diethyl ether 1574.01
    m-xylene 631.97
    p-xylene 503.07
    chlorobenzene 1188.59
    dimethyl carbonate 442.4
    n-octane 28.15
    formamide 582.71
    cyclopentanone 1373.67
    2-pentanone 1164.28
    anisole 769.3
    cyclopentyl methyl ether 1068.44
    gamma-butyrolactone 1402.45
    1-methoxy-2-propanol 1329.83
    pyridine 1825.06
    3-pentanone 705.14
    furfural 1309.02
    n-dodecane 31.46
    diethylene glycol 992.03
    diisopropyl ether 511.15
    tert-amyl alcohol 807.45
    acetylacetone 1229.03
    n-hexadecane 36.84
    acetophenone 609.49
    methyl propionate 787.16
    isopentyl acetate 966.59
    trichloroethylene 3092.12
    n-nonanol 267.02
    cyclohexanol 1070.23
    benzyl alcohol 640.45
    2-ethylhexanol 389.06
    isooctanol 275.81
    dipropyl ether 390.04
    1,2-dichlorobenzene 890.11
    ethyl lactate 325.27
    propylene carbonate 956.87
    n-methylformamide 755.23
    2-pentanol 874.36
    n-pentane 122.56
    1-propoxy-2-propanol 788.81
    1-methoxy-2-propyl acetate 900.91
    2-(2-methoxypropoxy) propanol 587.22
    mesitylene 381.18
    ε-caprolactone 1255.65
    p-cymene 191.63
    epichlorohydrin 2024.44
    1,1,1-trichloroethane 1642.01
    2-aminoethanol 529.12
    morpholine-4-carbaldehyde 1216.76
    sulfolane 988.45
    2,2,4-trimethylpentane 72.93
    2-methyltetrahydrofuran 1763.34
    n-hexyl acetate 700.35
    isooctane 82.59
    2-(2-butoxyethoxy)ethanol 916.7
    sec-butyl acetate 607.69
    tert-butyl acetate 957.85
    decalin 108.02
    glycerin 492.39
    diglyme 1522.33
    acrylic acid 616.62
    isopropyl myristate 242.13
    n-butyric acid 1468.09
    acetyl acetate 925.95
    di(2-ethylhexyl) phthalate 242.64
    ethyl propionate 579.85
    nitromethane 1452.17
    1,2-diethoxyethane 1151.18
    benzonitrile 1048.8
    trioctyl phosphate 162.77
    1-bromopropane 1211.92
    gamma-valerolactone 1748.06
    n-decanol 192.37
    triethyl phosphate 212.97
    4-methyl-2-pentanol 585.0
    propionitrile 1037.4
    vinylene carbonate 1009.37
    1,1,2-trichlorotrifluoroethane 1168.03
    DMS 581.2
    cumene 260.73
    2-octanol 223.32
    2-hexanone 708.4
    octyl acetate 293.51
    limonene 248.81
    1,2-dimethoxyethane 1524.02
    ethyl orthosilicate 221.82
    tributyl phosphate 216.56
    diacetone alcohol 797.54
    N,N-dimethylaniline 396.88
    acrylonitrile 1073.69
    aniline 1047.43
    1,3-propanediol 1004.02
    bromobenzene 1315.94
    dibromomethane 2258.82
    1,1,2,2-tetrachloroethane 2423.87
    2-methyl-cyclohexyl acetate 388.48
    tetrabutyl urea 237.2
    diisobutyl methanol 253.72
    2-phenylethanol 657.82
    styrene 543.62
    dioctyl adipate 311.4
    dimethyl sulfate 436.86
    ethyl butyrate 537.92
    methyl lactate 422.46
    butyl lactate 369.3
    diethyl carbonate 377.22
    propanediol butyl ether 603.66
    triethyl orthoformate 360.35
    p-tert-butyltoluene 184.56
    methyl 4-tert-butylbenzoate 426.81
    morpholine 2556.21
    tert-butylamine 862.17
    n-dodecanol 150.88
    dimethoxymethane 1157.26
    ethylene carbonate 949.82
    cyrene 422.21
    2-ethoxyethyl acetate 754.01
    2-ethylhexyl acetate 643.97
    1,2,4-trichlorobenzene 953.87
    4-methylpyridine 1774.1
    dibutyl ether 411.64
    2,6-dimethyl-4-heptanol 253.72
    DEF 855.57
    dimethyl isosorbide 756.2
    tetrachloroethylene 1532.71
    eugenol 478.32
    triacetin 571.57
    span 80 470.62
    1,4-butanediol 376.93
    1,1-dichloroethane 2201.96
    2-methyl-1-pentanol 725.38
    methyl formate 636.66
    2-methyl-1-butanol 997.29
    n-decane 48.52
    butyronitrile 1327.87
    3,7-dimethyl-1-octanol 365.83
    1-chlorooctane 213.14
    1-chlorotetradecane 94.23
    n-nonane 43.53
    undecane 37.6
    tert-butylcyclohexane 94.76
    cyclooctane 82.68
    cyclopentanol 890.38
    tetrahydropyran 2606.26
    tert-amyl methyl ether 642.81
    2,5,8-trioxanonane 924.2
    1-hexene 388.41
    2-isopropoxyethanol 735.5
    2,2,2-trifluoroethanol 470.33
    methyl butyrate 781.15

    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