Butanoic acid, 2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-2-penten-1-yl ester

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  • Identifiers

    CAS number
    67633-98-1

    Molecular formula
    C19H30O2

    SMILES
    CCCC(=O)OCC(=CCCC1(C2CCC(C2)C1=C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 82.24%
    Fruity 58.08%
    Floral 47.24%
    Amber 37.34%
    Sandalwood 37.12%
    Violet 36.98%
    Sweet 36.91%
    Waxy 36.35%
    Powdery 36.11%
    Dry 35.59%

     

    Flavor
    Woody 40.59%
    Fruity 32.88%
    Herbal 27.84%
    Balsam 25.78%
    Sweet 23.67%
    Floral 23.11%
    Rose 21.96%
    Sandalwood 21.77%
    Wood 21.71%
    Waxy 21.34%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    7.85 (neutral)

    Molecular weight
    290.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    363°C

    Flash point

    • 145.65 ˚C est.

  • Synonyms

    • Butanoic acid, 2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-2-penten-1-yl ester
    • DTXSID30867289
    • Butanoic acid, 2-methyl-5-(2-methyl-3-methylenebicyclo(2.2.1)hept-2-yl)-2-penten-1-yl ester
    • RefChem:571394
    • DTXCID30815482
    • 67633-98-1
    • Santalyl butyrate
    • [2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] butanoate
    • JBONJDLTGVVYHE-UHFFFAOYSA-N
    • NS00013189
    • 2-Methyl-5-(2-methyl-3-methylidenebicyclo[2.2.1]heptan-2-yl)pent-2-en-1-yl butanoate
    • 67633-98-1

  • Applications

    Butanoic acid, 2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-2-penten-1-yl ester (CAS 67633-98-1) is typically used as a fragrance ingredient and fixative in perfumery and cosmetics, helping to impart a distinctive aroma and extend fragrance longevity in personal care formulations. It also serves as a synthetic intermediate for fragrance chemistry and related specialty chemicals. The bulky norbornene-like moiety makes it a potential building block for polymers and coatings, where it can influence mechanical properties and film performance; the allylic 2-penten-1-yl side chain provides sites for functionalization or processing in coatings, inks, and adhesives. In industrial manufacturing, its use is evaluated for formulation compatibility and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5189.79
    methanol 3074.98
    isopropanol 6277.96
    water 0.52
    ethyl acetate 6523.01
    n-propanol 5008.49
    acetone 3294.4
    n-butanol 4699.3
    acetonitrile 1747.83
    DMF 2142.15
    toluene 3174.9
    isobutanol 3650.51
    1,4-dioxane 8702.29
    methyl acetate 2778.15
    THF 9230.28
    2-butanone 3656.9
    n-pentanol 1964.62
    sec-butanol 3892.24
    n-hexane 163.69
    ethylene glycol 104.04
    NMP 745.04
    cyclohexane 596.31
    DMSO 846.93
    n-butyl acetate 2701.53
    n-octanol 382.12
    chloroform 7904.76
    n-propyl acetate 2341.42
    acetic acid 1263.38
    dichloromethane 5569.02
    cyclohexanone 3541.75
    propylene glycol 331.74
    isopropyl acetate 5141.25
    DMAc 2029.12
    2-ethoxyethanol 2913.3
    isopentanol 4197.37
    n-heptane 61.81
    ethyl formate 1646.34
    1,2-dichloroethane 3771.6
    n-hexanol 1930.3
    2-methoxyethanol 4399.4
    isobutyl acetate 1611.17
    tetrachloromethane 948.31
    n-pentyl acetate 1300.88
    transcutol 9840.19
    n-heptanol 561.13
    ethylbenzene 989.85
    MIBK 2623.24
    2-propoxyethanol 3590.42
    tert-butanol 5108.92
    MTBE 8828.27
    2-butoxyethanol 1488.73
    propionic acid 1001.84
    o-xylene 1194.29
    formic acid 285.22
    diethyl ether 9198.23
    m-xylene 1710.98
    p-xylene 1114.23
    chlorobenzene 2124.94
    dimethyl carbonate 879.27
    n-octane 24.72
    formamide 637.24
    cyclopentanone 2558.36
    2-pentanone 3845.74
    anisole 2419.87
    cyclopentyl methyl ether 3779.56
    gamma-butyrolactone 2188.56
    1-methoxy-2-propanol 4439.85
    pyridine 4098.08
    3-pentanone 2211.03
    furfural 1935.58
    n-dodecane 19.43
    diethylene glycol 1443.12
    diisopropyl ether 2035.84
    tert-amyl alcohol 3358.52
    acetylacetone 3063.39
    n-hexadecane 23.77
    acetophenone 1340.95
    methyl propionate 2738.17
    isopentyl acetate 2773.81
    trichloroethylene 5347.72
    n-nonanol 385.76
    cyclohexanol 2650.79
    benzyl alcohol 1313.96
    2-ethylhexanol 750.42
    isooctanol 524.3
    dipropyl ether 1393.88
    1,2-dichlorobenzene 1555.85
    ethyl lactate 576.18
    propylene carbonate 1502.9
    n-methylformamide 1135.52
    2-pentanol 3351.03
    n-pentane 305.2
    1-propoxy-2-propanol 2295.2
    1-methoxy-2-propyl acetate 3343.75
    2-(2-methoxypropoxy) propanol 1268.41
    mesitylene 906.58
    ε-caprolactone 3277.88
    p-cymene 353.89
    epichlorohydrin 4515.73
    1,1,1-trichloroethane 3461.16
    2-aminoethanol 676.26
    morpholine-4-carbaldehyde 2462.73
    sulfolane 1024.33
    2,2,4-trimethylpentane 150.4
    2-methyltetrahydrofuran 6434.01
    n-hexyl acetate 1460.02
    isooctane 157.82
    2-(2-butoxyethoxy)ethanol 2163.32
    sec-butyl acetate 2289.37
    tert-butyl acetate 4229.22
    decalin 169.86
    glycerin 400.11
    diglyme 4331.56
    acrylic acid 476.7
    isopropyl myristate 480.94
    n-butyric acid 3400.2
    acetyl acetate 2269.85
    di(2-ethylhexyl) phthalate 364.54
    ethyl propionate 2073.02
    nitromethane 1865.85
    1,2-diethoxyethane 4792.54
    benzonitrile 1494.69
    trioctyl phosphate 220.22
    1-bromopropane 3213.98
    gamma-valerolactone 4047.21
    n-decanol 254.69
    triethyl phosphate 461.38
    4-methyl-2-pentanol 1756.29
    propionitrile 2304.82
    vinylene carbonate 1394.02
    1,1,2-trichlorotrifluoroethane 1532.46
    DMS 1142.67
    cumene 558.93
    2-octanol 368.02
    2-hexanone 1756.87
    octyl acetate 536.99
    limonene 518.07
    1,2-dimethoxyethane 5206.48
    ethyl orthosilicate 529.38
    tributyl phosphate 334.31
    diacetone alcohol 2668.32
    N,N-dimethylaniline 1009.9
    acrylonitrile 1598.36
    aniline 2660.59
    1,3-propanediol 2188.52
    bromobenzene 2261.44
    dibromomethane 3685.99
    1,1,2,2-tetrachloroethane 4699.45
    2-methyl-cyclohexyl acetate 917.11
    tetrabutyl urea 356.93
    diisobutyl methanol 521.05
    2-phenylethanol 1404.81
    styrene 1278.17
    dioctyl adipate 568.87
    dimethyl sulfate 587.88
    ethyl butyrate 1619.14
    methyl lactate 701.94
    butyl lactate 754.6
    diethyl carbonate 943.52
    propanediol butyl ether 878.26
    triethyl orthoformate 1076.56
    p-tert-butyltoluene 374.74
    methyl 4-tert-butylbenzoate 870.48
    morpholine 10654.95
    tert-butylamine 3391.2
    n-dodecanol 179.6
    dimethoxymethane 4286.6
    ethylene carbonate 1617.21
    cyrene 610.21
    2-ethoxyethyl acetate 2398.91
    2-ethylhexyl acetate 1876.38
    1,2,4-trichlorobenzene 1596.17
    4-methylpyridine 4597.97
    dibutyl ether 1004.15
    2,6-dimethyl-4-heptanol 521.05
    DEF 2948.23
    dimethyl isosorbide 1655.44
    tetrachloroethylene 2578.96
    eugenol 835.65
    triacetin 1140.09
    span 80 801.72
    1,4-butanediol 478.7
    1,1-dichloroethane 4702.55
    2-methyl-1-pentanol 1799.91
    methyl formate 647.04
    2-methyl-1-butanol 3202.02
    n-decane 37.91
    butyronitrile 3323.86
    3,7-dimethyl-1-octanol 668.66
    1-chlorooctane 248.67
    1-chlorotetradecane 86.85
    n-nonane 32.85
    undecane 25.76
    tert-butylcyclohexane 161.1
    cyclooctane 134.91
    cyclopentanol 1849.97
    tetrahydropyran 10460.55
    tert-amyl methyl ether 3583.33
    2,5,8-trioxanonane 2225.75
    1-hexene 835.39
    2-isopropoxyethanol 2134.29
    2,2,2-trifluoroethanol 410.64
    methyl butyrate 2398.26

    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