Isopropyl caprate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    2311-59-3

    Molecular formula
    C13H26O2

    SMILES
    CCCCCCCCCC(=O)OC(C)C

    Retention indicies (RI)

    • Carbowax: 1615.0

  • Odor profile

    Fruity 87.2%
    Oily 71.46%
    Fatty 68.97%
    Winey 64.87%
    Waxy 59.68%
    Cognac 53.97%
    Green 48.64%
    Brandy 41.5%
    Sweet 39.81%
    Fermented 39.65%

    Scent© AI

  • Properties

    XLogP3-AA
    5.0

    Molecular weight
    214.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    251°C

    Flash point est.
    103.47 ˚C

  • Synonyms

    • ISOPROPYL DECANOATE
    • 2311-59-3
    • Isopropyl caprate
    • n-Capric acid isopropyl ester
    • propan-2-yl decanoate
    • Decanoic Acid Isopropyl Ester
    • Decanoic acid, 1-methylethyl ester
    • isopropyl n-decanoate
    • Isopropyl dodecanoic acid
    • EINECS 219-001-4
    • AI3-33575
    • 01R0Y41050
    • DTXSID50177675
    • DECANOIC ACID, ISOPROPYL ESTER
    • N-CAPRICACIDISOPROPYLESTER
    • Isopropyl decanoate #
    • 1-Methylethyldecanoate
    • SCHEMBL332845
    • Isopropyl decanoate, AldrichCPR
    • CHEBI:88621
    • DTXCID10100166
    • CHEBI:180103
    • UNII-01R0Y41050
    • AKOS009159489
    • HY-W127422
    • LS-14255
    • CS-0185656
    • NS00021886
    • D89306
    • Q27160509
    • 219-001-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7420.1
    methanol 6864.29
    isopropanol 8174.39
    water 0.13
    ethyl acetate 6991.12
    n-propanol 6853.97
    acetone 12279.7
    n-butanol 6054.73
    acetonitrile 5923.77
    DMF 6595.98
    toluene 2791.18
    isobutanol 5776.65
    1,4-dioxane 6840.09
    methyl acetate 4722.96
    THF 11296.3
    2-butanone 7572.06
    n-pentanol 4316.32
    sec-butanol 6930.89
    n-hexane 3950.24
    ethylene glycol 368.01
    NMP 5464.84
    cyclohexane 3937.54
    DMSO 6871.32
    n-butyl acetate 6278.19
    n-octanol 1909.09
    chloroform 11534.06
    n-propyl acetate 5057.53
    acetic acid 3592.91
    dichloromethane 10352.47
    cyclohexanone 12143.62
    propylene glycol 977.39
    isopropyl acetate 5004.37
    DMAc 4434.92
    2-ethoxyethanol 3172.82
    isopentanol 5639.54
    n-heptane 1083.41
    ethyl formate 3227.08
    1,2-dichloroethane 7252.35
    n-hexanol 4266.99
    2-methoxyethanol 4949.45
    isobutyl acetate 2907.78
    tetrachloromethane 2120.48
    n-pentyl acetate 3508.49
    transcutol 8599.09
    n-heptanol 1577.22
    ethylbenzene 1575.31
    MIBK 4128.06
    2-propoxyethanol 4138.39
    tert-butanol 8574.37
    MTBE 9128.43
    2-butoxyethanol 2270.81
    propionic acid 3550.12
    o-xylene 1534.0
    formic acid 556.66
    diethyl ether 9525.86
    m-xylene 1671.25
    p-xylene 2168.68
    chlorobenzene 3590.26
    dimethyl carbonate 902.69
    n-octane 372.67
    formamide 917.25
    cyclopentanone 8781.95
    2-pentanone 7578.22
    anisole 2211.89
    cyclopentyl methyl ether 7237.39
    gamma-butyrolactone 7243.44
    1-methoxy-2-propanol 4355.43
    pyridine 6369.92
    3-pentanone 4481.91
    furfural 4287.35
    n-dodecane 200.86
    diethylene glycol 1584.65
    diisopropyl ether 2712.04
    tert-amyl alcohol 6826.66
    acetylacetone 5119.48
    n-hexadecane 244.98
    acetophenone 2008.77
    methyl propionate 3947.25
    isopentyl acetate 5112.21
    trichloroethylene 9906.07
    n-nonanol 1514.28
    cyclohexanol 6861.55
    benzyl alcohol 1725.03
    2-ethylhexanol 2754.84
    isooctanol 1389.87
    dipropyl ether 4219.58
    1,2-dichlorobenzene 2859.18
    ethyl lactate 1131.32
    propylene carbonate 3800.63
    n-methylformamide 2995.93
    2-pentanol 5109.43
    n-pentane 1969.37
    1-propoxy-2-propanol 3940.78
    1-methoxy-2-propyl acetate 3421.66
    2-(2-methoxypropoxy) propanol 1701.02
    mesitylene 1199.39
    ε-caprolactone 7556.68
    p-cymene 909.37
    epichlorohydrin 7438.66
    1,1,1-trichloroethane 7825.62
    2-aminoethanol 1402.86
    morpholine-4-carbaldehyde 4447.04
    sulfolane 7381.85
    2,2,4-trimethylpentane 612.23
    2-methyltetrahydrofuran 10909.44
    n-hexyl acetate 4481.39
    isooctane 458.01
    2-(2-butoxyethoxy)ethanol 2539.27
    sec-butyl acetate 3359.11
    tert-butyl acetate 4909.28
    decalin 1078.73
    glycerin 861.61
    diglyme 4659.24
    acrylic acid 1982.11
    isopropyl myristate 1369.31
    n-butyric acid 6814.73
    acetyl acetate 2927.19
    di(2-ethylhexyl) phthalate 927.82
    ethyl propionate 3711.41
    nitromethane 5823.34
    1,2-diethoxyethane 4701.69
    benzonitrile 2981.97
    trioctyl phosphate 759.65
    1-bromopropane 6968.72
    gamma-valerolactone 8674.76
    n-decanol 981.2
    triethyl phosphate 1008.34
    4-methyl-2-pentanol 2360.05
    propionitrile 4950.17
    vinylene carbonate 2991.09
    1,1,2-trichlorotrifluoroethane 4092.17
    DMS 1940.65
    cumene 1025.75
    2-octanol 1462.73
    2-hexanone 5576.08
    octyl acetate 1628.01
    limonene 1996.92
    1,2-dimethoxyethane 7043.48
    ethyl orthosilicate 1098.33
    tributyl phosphate 1051.4
    diacetone alcohol 3715.52
    N,N-dimethylaniline 1477.31
    acrylonitrile 4222.91
    aniline 2865.81
    1,3-propanediol 2403.82
    bromobenzene 4183.94
    dibromomethane 8387.48
    1,1,2,2-tetrachloroethane 9112.34
    2-methyl-cyclohexyl acetate 2234.64
    tetrabutyl urea 1350.22
    diisobutyl methanol 1399.82
    2-phenylethanol 1754.3
    styrene 2043.87
    dioctyl adipate 1759.24
    dimethyl sulfate 1398.22
    ethyl butyrate 3548.8
    methyl lactate 1161.78
    butyl lactate 1929.38
    diethyl carbonate 1637.66
    propanediol butyl ether 1960.96
    triethyl orthoformate 2011.75
    p-tert-butyltoluene 865.19
    methyl 4-tert-butylbenzoate 1610.51
    morpholine 10103.38
    tert-butylamine 5958.44
    n-dodecanol 709.73
    dimethoxymethane 3711.43
    ethylene carbonate 3181.86
    cyrene 1309.98
    2-ethoxyethyl acetate 2935.73
    2-ethylhexyl acetate 3808.57
    1,2,4-trichlorobenzene 3068.16
    4-methylpyridine 6615.1
    dibutyl ether 4135.26
    2,6-dimethyl-4-heptanol 1399.82
    DEF 6483.67
    dimethyl isosorbide 2766.66
    tetrachloroethylene 5879.62
    eugenol 1361.52
    triacetin 2436.8
    span 80 1974.54
    1,4-butanediol 990.07
    1,1-dichloroethane 8970.31
    2-methyl-1-pentanol 3632.57
    methyl formate 1781.04
    2-methyl-1-butanol 5138.21
    n-decane 448.35
    butyronitrile 6756.13
    3,7-dimethyl-1-octanol 1960.9
    1-chlorooctane 1738.12
    1-chlorotetradecane 532.95
    n-nonane 514.4
    undecane 280.46
    tert-butylcyclohexane 935.15
    cyclooctane 903.0
    cyclopentanol 6408.86
    tetrahydropyran 13813.51
    tert-amyl methyl ether 5476.51
    2,5,8-trioxanonane 2606.65
    1-hexene 8020.76
    2-isopropoxyethanol 2622.15
    2,2,2-trifluoroethanol 819.45
    methyl butyrate 5779.37

    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

Botanical

Name CAS Botanical Proportion
Dendranthema vestitum flower absolute (China) Dendranthema vestitum (Hemsl.) Ling ex Shih, fam. Asteraceae (Compositae) 0.32%