Hexahydro-4,7-methanoinden-5-yl propionate

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  • Identifiers

    CAS number
    67634-24-6

    Molecular formula
    C13H18O2

    SMILES
    CCC(=O)OC1CC2CC1C3C2CC=C3

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 82.51%
    Woody 77.73%
    Green 74.91%
    Herbal 71.02%
    Floral 56.3%
    Oily 52.57%
    Sweet 46.06%
    Balsamic 45.16%
    Jasmin 43.27%
    Fresh 41.02%

     

    Flavor
    Bitter 50.8%
    Fruity 32.1%
    Fruit 23.94%
    Fatty 22.3%
    Cedarleaf 21.92%
    Floral 21.57%
    Herbal 20.75%
    Alkaline 20.68%
    Plant 20.51%
    Sweet-like 20.38%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.25 (neutral)

    Molecular weight
    206.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point

    • 113.58 ˚C est.

  • Synonyms

    • 67634-24-6
    • 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5-yl propionate
    • hexahydro-4,7-methanoinden-5-yl propionate
    • 815API7M1P
    • EINECS 266-829-7
    • 4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-, propanoate
    • DTXSID2052362
    • 4,7-Methanoinden-5-ol, 3a,4,5,6,7,7a-hexahydro-, propionate
    • 4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-, 5-propanoate
    • Tricyclo(5.2.1.02,6)dec-3-en-9-yl propionate
    • 3a,4,5,6,7,7a-hexahydro-1h-4,7-methanoinden-5-yl propionate
    • 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5-ol propionate
    • RefChem:786148
    • DTXCID2030934
    • 266-829-7
    • 8-tricyclo[5.2.1.02,6]dec-4-enyl propanoate
    • UNII-815API7M1P
    • SCHEMBL1427774
    • 3A,4,5,6,7,7a-hexahydro-4,7-methano-1 h-inden-5-yl propionate
    • hexahydromethanoinden-5-yl propionate
    • NS00012545
    • Q27269213
    • tricyclo[5.2.1.0{2,6}]dec-4-en-8-yl propanoate
    • 3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-5-yl propanoate
    • 67634-24-6

  • Applications

    Hexahydro-4,7-methanoinden-5-yl propionate (CAS 67634-24-6) is primarily used as a fragrance ingredient and a potential fragrance fixative in perfumery, helping to create and stabilize aroma profiles. It may also be employed in cosmetics and personal care formulations as an aroma component. In household products such as cleaners and air fresheners, it can be added to impart or preserve scent. In coatings and inks, it may be used as a fragrance additive to introduce or retain fragrance in the finished products. It can serve as an intermediate in the synthesis of fragrance molecules for industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1018.68
    methanol 1316.14
    isopropanol 974.69
    water 4.69
    ethyl acetate 1034.58
    n-propanol 819.38
    acetone 1071.02
    n-butanol 844.54
    acetonitrile 937.0
    DMF 978.55
    toluene 892.28
    isobutanol 690.6
    1,4-dioxane 1901.35
    methyl acetate 778.16
    THF 1758.68
    2-butanone 848.42
    n-pentanol 484.26
    sec-butanol 571.38
    n-hexane 47.51
    ethylene glycol 198.05
    NMP 498.24
    cyclohexane 133.47
    DMSO 809.67
    n-butyl acetate 656.41
    n-octanol 201.69
    chloroform 3568.37
    n-propyl acetate 567.84
    acetic acid 835.53
    dichloromethane 2516.04
    cyclohexanone 1084.94
    propylene glycol 265.12
    isopropyl acetate 828.0
    DMAc 700.4
    2-ethoxyethanol 800.67
    isopentanol 882.34
    n-heptane 25.17
    ethyl formate 652.34
    1,2-dichloroethane 1285.73
    n-hexanol 502.77
    2-methoxyethanol 1272.74
    isobutyl acetate 448.39
    tetrachloromethane 409.42
    n-pentyl acetate 345.47
    transcutol 2702.69
    n-heptanol 215.15
    ethylbenzene 312.82
    MIBK 661.58
    2-propoxyethanol 933.0
    tert-butanol 874.61
    MTBE 889.95
    2-butoxyethanol 496.75
    propionic acid 511.26
    o-xylene 391.88
    formic acid 327.96
    diethyl ether 961.29
    m-xylene 541.44
    p-xylene 430.83
    chlorobenzene 910.7
    dimethyl carbonate 382.64
    n-octane 15.52
    formamide 493.55
    cyclopentanone 973.04
    2-pentanone 809.4
    anisole 665.71
    cyclopentyl methyl ether 716.95
    gamma-butyrolactone 1034.97
    1-methoxy-2-propanol 1021.39
    pyridine 1476.07
    3-pentanone 538.27
    furfural 1085.2
    n-dodecane 18.14
    diethylene glycol 791.53
    diisopropyl ether 323.9
    tert-amyl alcohol 529.49
    acetylacetone 941.19
    n-hexadecane 21.37
    acetophenone 532.41
    methyl propionate 599.99
    isopentyl acetate 647.94
    trichloroethylene 2427.62
    n-nonanol 183.14
    cyclohexanol 637.41
    benzyl alcohol 533.02
    2-ethylhexanol 253.93
    isooctanol 191.38
    dipropyl ether 246.24
    1,2-dichlorobenzene 709.32
    ethyl lactate 265.85
    propylene carbonate 739.57
    n-methylformamide 614.04
    2-pentanol 524.49
    n-pentane 64.99
    1-propoxy-2-propanol 541.51
    1-methoxy-2-propyl acetate 676.38
    2-(2-methoxypropoxy) propanol 456.95
    mesitylene 315.09
    ε-caprolactone 875.43
    p-cymene 148.23
    epichlorohydrin 1482.47
    1,1,1-trichloroethane 1233.38
    2-aminoethanol 425.81
    morpholine-4-carbaldehyde 970.75
    sulfolane 737.05
    2,2,4-trimethylpentane 47.53
    2-methyltetrahydrofuran 1122.79
    n-hexyl acetate 479.39
    isooctane 54.73
    2-(2-butoxyethoxy)ethanol 700.21
    sec-butyl acetate 477.44
    tert-butyl acetate 700.39
    decalin 68.21
    glycerin 393.14
    diglyme 1215.69
    acrylic acid 450.09
    isopropyl myristate 172.0
    n-butyric acid 978.79
    acetyl acetate 691.97
    di(2-ethylhexyl) phthalate 186.11
    ethyl propionate 451.33
    nitromethane 1071.25
    1,2-diethoxyethane 823.98
    benzonitrile 830.62
    trioctyl phosphate 119.1
    1-bromopropane 786.62
    gamma-valerolactone 1310.19
    n-decanol 133.83
    triethyl phosphate 173.24
    4-methyl-2-pentanol 405.19
    propionitrile 742.56
    vinylene carbonate 803.71
    1,1,2-trichlorotrifluoroethane 906.63
    DMS 456.2
    cumene 219.08
    2-octanol 147.36
    2-hexanone 502.63
    octyl acetate 205.12
    limonene 178.04
    1,2-dimethoxyethane 1157.13
    ethyl orthosilicate 174.65
    tributyl phosphate 160.44
    diacetone alcohol 603.44
    N,N-dimethylaniline 352.7
    acrylonitrile 865.57
    aniline 845.78
    1,3-propanediol 739.59
    bromobenzene 1032.45
    dibromomethane 1630.0
    1,1,2,2-tetrachloroethane 1845.01
    2-methyl-cyclohexyl acetate 280.78
    tetrabutyl urea 172.69
    diisobutyl methanol 181.41
    2-phenylethanol 492.59
    styrene 430.93
    dioctyl adipate 223.23
    dimethyl sulfate 394.36
    ethyl butyrate 383.89
    methyl lactate 340.69
    butyl lactate 273.3
    diethyl carbonate 282.09
    propanediol butyl ether 451.14
    triethyl orthoformate 267.47
    p-tert-butyltoluene 144.28
    methyl 4-tert-butylbenzoate 351.74
    morpholine 1663.81
    tert-butylamine 576.64
    n-dodecanol 103.05
    dimethoxymethane 908.73
    ethylene carbonate 728.85
    cyrene 343.36
    2-ethoxyethyl acetate 558.2
    2-ethylhexyl acetate 440.55
    1,2,4-trichlorobenzene 763.48
    4-methylpyridine 1407.15
    dibutyl ether 266.9
    2,6-dimethyl-4-heptanol 181.41
    DEF 636.08
    dimethyl isosorbide 573.55
    tetrachloroethylene 1212.88
    eugenol 380.23
    triacetin 454.32
    span 80 338.22
    1,4-butanediol 288.3
    1,1-dichloroethane 1572.87
    2-methyl-1-pentanol 492.78
    methyl formate 517.82
    2-methyl-1-butanol 630.33
    n-decane 27.59
    butyronitrile 893.82
    3,7-dimethyl-1-octanol 255.59
    1-chlorooctane 132.63
    1-chlorotetradecane 61.85
    n-nonane 23.7
    undecane 21.71
    tert-butylcyclohexane 63.22
    cyclooctane 45.38
    cyclopentanol 526.97
    tetrahydropyran 1541.71
    tert-amyl methyl ether 449.55
    2,5,8-trioxanonane 735.65
    1-hexene 217.39
    2-isopropoxyethanol 591.93
    2,2,2-trifluoroethanol 367.95
    methyl butyrate 598.27

    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