Propanoic acid, 2-methyl-, decahydro-2-naphthalenyl ester

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  • Identifiers

    CAS number
    67874-78-6

    Molecular formula
    C14H24O2

    SMILES
    CC(C)C(=O)OC1CCC2CCCCC2C1

  • Odor profile

    Fragrance
    Fruity 91.14%
    Sweet 48.96%
    Floral 43.65%
    Woody 41.02%
    Green 35.94%
    Herbal 34.57%
    Rose 33.86%
    Peach 33.77%
    Pineapple 32.55%
    Apricot 31.89%

     

    Flavor
    Fruity 68.18%
    Fruit 39.47%
    Green 34.56%
    Tropical 33.98%
    Pineapple 26.28%
    Herbal 26.26%
    Berry 26.22%
    Rose 25.24%
    Floral 24.15%
    Herb 23.41%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    8.24 (weak base)

    Molecular weight
    224.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    287°C

    Flash point

    • 121.96 ˚C est.

  • Synonyms

    • Decahydro-2-naphthyl isobutyrate
    • 67874-78-6
    • Decahydro-beta-naphthyl isobutyrate
    • EINECS 267-506-3
    • Propanoic acid, 2-methyl-, decahydro-2-naphthalenyl ester
    • DTXSID10886993
    • 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 2-methylpropanoate
    • Decahydronaphthalen-2-yl isobutyrate
    • apricot isobutyrate
    • SCHEMBL1626651
    • KWWPABFNYJNITP-UHFFFAOYSA-N
    • DTXCID901026309
    • NS00012186
    • 267-506-3

  • Applications

    Propanoic acid, 2-methyl-, decahydro-2-naphthalenyl ester (CAS 67874-78-6) is primarily used as a fragrance ingredient and fixative in perfumery; it is also used in cosmetics/personal care products to impart a lasting aroma; in household products such as cleaners and air fresheners as an odorant; in industrial manufacturing as a component of fragrance formulations and as an intermediate for the synthesis of other fragrance chemicals; and it may be employed in coatings/inks as a scent additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2019.8
    methanol 2013.49
    isopropanol 2281.92
    water 0.49
    ethyl acetate 3662.94
    n-propanol 1682.21
    acetone 3953.18
    n-butanol 1695.46
    acetonitrile 3210.43
    DMF 2649.97
    toluene 1557.88
    isobutanol 1401.1
    1,4-dioxane 4029.65
    methyl acetate 2417.97
    THF 3942.72
    2-butanone 2741.27
    n-pentanol 922.68
    sec-butanol 1401.39
    n-hexane 254.91
    ethylene glycol 132.62
    NMP 1377.53
    cyclohexane 478.49
    DMSO 1752.23
    n-butyl acetate 2717.09
    n-octanol 545.47
    chloroform 7053.78
    n-propyl acetate 1999.61
    acetic acid 1357.4
    dichloromethane 5908.33
    cyclohexanone 3350.75
    propylene glycol 255.29
    isopropyl acetate 2539.06
    DMAc 1609.6
    2-ethoxyethanol 1282.48
    isopentanol 1639.97
    n-heptane 103.99
    ethyl formate 1778.63
    1,2-dichloroethane 3920.06
    n-hexanol 1167.7
    2-methoxyethanol 1947.33
    isobutyl acetate 1277.32
    tetrachloromethane 1024.29
    n-pentyl acetate 1403.97
    transcutol 5637.56
    n-heptanol 543.75
    ethylbenzene 710.14
    MIBK 1669.42
    2-propoxyethanol 1792.05
    tert-butanol 2154.35
    MTBE 3209.12
    2-butoxyethanol 1031.72
    propionic acid 1124.34
    o-xylene 842.68
    formic acid 309.38
    diethyl ether 3191.47
    m-xylene 974.82
    p-xylene 951.58
    chlorobenzene 2298.37
    dimethyl carbonate 666.27
    n-octane 61.33
    formamide 593.09
    cyclopentanone 2969.97
    2-pentanone 2564.1
    anisole 1323.54
    cyclopentyl methyl ether 1881.33
    gamma-butyrolactone 3157.52
    1-methoxy-2-propanol 1636.27
    pyridine 3176.3
    3-pentanone 1618.5
    furfural 2541.21
    n-dodecane 49.76
    diethylene glycol 877.58
    diisopropyl ether 935.05
    tert-amyl alcohol 1411.44
    acetylacetone 2499.12
    n-hexadecane 61.19
    acetophenone 1120.17
    methyl propionate 1740.56
    isopentyl acetate 2359.31
    trichloroethylene 6522.49
    n-nonanol 461.5
    cyclohexanol 1537.25
    benzyl alcohol 880.11
    2-ethylhexanol 698.42
    isooctanol 502.92
    dipropyl ether 973.97
    1,2-dichlorobenzene 1892.12
    ethyl lactate 483.4
    propylene carbonate 1917.22
    n-methylformamide 1415.36
    2-pentanol 1250.95
    n-pentane 217.04
    1-propoxy-2-propanol 1429.05
    1-methoxy-2-propyl acetate 1780.84
    2-(2-methoxypropoxy) propanol 832.28
    mesitylene 639.95
    ε-caprolactone 2803.72
    p-cymene 380.17
    epichlorohydrin 3921.16
    1,1,1-trichloroethane 3827.1
    2-aminoethanol 432.01
    morpholine-4-carbaldehyde 2045.93
    sulfolane 2258.22
    2,2,4-trimethylpentane 122.02
    2-methyltetrahydrofuran 3107.63
    n-hexyl acetate 1584.82
    isooctane 123.97
    2-(2-butoxyethoxy)ethanol 1390.65
    sec-butyl acetate 1466.37
    tert-butyl acetate 2054.05
    decalin 198.67
    glycerin 338.9
    diglyme 2735.99
    acrylic acid 772.79
    isopropyl myristate 516.48
    n-butyric acid 2371.35
    acetyl acetate 1854.21
    di(2-ethylhexyl) phthalate 405.13
    ethyl propionate 1425.41
    nitromethane 2842.32
    1,2-diethoxyethane 2724.97
    benzonitrile 1865.11
    trioctyl phosphate 292.55
    1-bromopropane 2354.37
    gamma-valerolactone 3700.21
    n-decanol 317.53
    triethyl phosphate 426.78
    4-methyl-2-pentanol 778.88
    propionitrile 2240.66
    vinylene carbonate 1786.49
    1,1,2-trichlorotrifluoroethane 1740.27
    DMS 1117.1
    cumene 452.76
    2-octanol 442.45
    2-hexanone 1580.65
    octyl acetate 620.89
    limonene 537.0
    1,2-dimethoxyethane 2736.47
    ethyl orthosilicate 442.23
    tributyl phosphate 420.62
    diacetone alcohol 1370.91
    N,N-dimethylaniline 680.29
    acrylonitrile 2157.19
    aniline 1537.7
    1,3-propanediol 1006.19
    bromobenzene 2630.08
    dibromomethane 3989.09
    1,1,2,2-tetrachloroethane 5174.59
    2-methyl-cyclohexyl acetate 792.15
    tetrabutyl urea 455.55
    diisobutyl methanol 452.52
    2-phenylethanol 914.22
    styrene 978.41
    dioctyl adipate 635.81
    dimethyl sulfate 779.85
    ethyl butyrate 1417.77
    methyl lactate 538.23
    butyl lactate 837.52
    diethyl carbonate 825.38
    propanediol butyl ether 810.21
    triethyl orthoformate 831.82
    p-tert-butyltoluene 371.35
    methyl 4-tert-butylbenzoate 832.45
    morpholine 3811.84
    tert-butylamine 1476.44
    n-dodecanol 232.54
    dimethoxymethane 1835.23
    ethylene carbonate 1819.25
    cyrene 550.95
    2-ethoxyethyl acetate 1764.78
    2-ethylhexyl acetate 1612.59
    1,2,4-trichlorobenzene 1961.66
    4-methylpyridine 3265.78
    dibutyl ether 1137.31
    2,6-dimethyl-4-heptanol 452.52
    DEF 2132.36
    dimethyl isosorbide 1334.72
    tetrachloroethylene 3117.87
    eugenol 750.69
    triacetin 1134.2
    span 80 722.38
    1,4-butanediol 356.8
    1,1-dichloroethane 4506.27
    2-methyl-1-pentanol 927.98
    methyl formate 1093.41
    2-methyl-1-butanol 1292.81
    n-decane 91.0
    butyronitrile 2648.05
    3,7-dimethyl-1-octanol 641.86
    1-chlorooctane 488.72
    1-chlorotetradecane 171.22
    n-nonane 86.94
    undecane 64.06
    tert-butylcyclohexane 176.32
    cyclooctane 141.51
    cyclopentanol 1274.73
    tetrahydropyran 4002.01
    tert-amyl methyl ether 1486.98
    2,5,8-trioxanonane 1449.25
    1-hexene 919.42
    2-isopropoxyethanol 1037.34
    2,2,2-trifluoroethanol 473.56
    methyl butyrate 2107.36

    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