Methyl Decanoate

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  • Identifiers

    CAS number
    110-42-9

    Molecular formula
    C11H22O2

    SMILES
    CCCCCCCCCC(=O)OC

    Safety labels

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1325.0
    • Carbowax: 1590.0

  • Odor profile

    Fruity 83.07%
    Fatty 73.05%
    Waxy 72.46%
    Sweet 67.17%
    Oily 64.44%
    Winey 62.72%
    Floral 54.78%
    Cognac 51.59%
    Green 51.08%
    Creamy 44.55%

    Scent© AI

  • Properties

    XLogP3-AA
    4.7

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • -18 °C

    Boiling point

    • 224 °C @ 760 mm Hg
    • 108.00 °C. @ 10.00 mm Hg

    Flash point est.
    90.79 ˚C

    Solubility expt.

    • Insol in water; very sol in ethyl alc, ether; slightly sol in chloroform, carbon tetrachloride
    • 0.0044 mg/mL at 20 °C

  • Synonyms

    • METHYL DECANOATE
    • 110-42-9
    • Methyl caprate
    • Decanoic acid, methyl ester
    • Methyl caprinate
    • Capric acid methyl ester
    • Methyl-n-caprate
    • Uniphat A30
    • Metholene 2095
    • Methyl n-caprate
    • Methyl n-decanoate
    • Decanoic acid methyl ester
    • Methyl decanoate (natural)
    • CCRIS 673
    • formyl decanoate
    • HSDB 5399
    • n-Capric acid methyl ester
    • NSC 3713
    • EINECS 203-766-6
    • UNII-U9L2W51J0B
    • BRN 1759170
    • DTXSID4026842
    • AI3-26168
    • DECANOIC ACID,METHYL ESTER
    • NSC-3713
    • decanoic acid-methyl ester
    • C10 FAME
    • DTXCID206842
    • U9L2W51J0B
    • METHYL DECANOATE [HSDB]
    • METHYL CAPRATE [USP-RS]
    • EC 203-766-6
    • WE(1:0/10:0)
    • METHYL CAPRATE (USP-RS)
    • Methyl Decanoate(Methyl Caprate)
    • CAS-110-42-9
    • METHYLDECANOATE
    • Methylncaprate
    • Methyl caprate; Decanoic acid methyl ester; Methyl decanoate
    • Methyl ncaprate
    • Methyl ndecanoate
    • MFCD00009580
    • Methyl decanoate, 99%
    • SCHEMBL122955
    • CHEMBL2137647
    • Methyl decanoate, >=99%, FG
    • MSK1808
    • NSC3713
    • CHEBI:143577
    • AAA11042
    • Tox21_201757
    • Tox21_303060
    • LMFA07010454
    • Methyl decanoate, analytical standard
    • AKOS009157090
    • CS-W016888
    • HY-W016172
    • NCGC00163977-01
    • NCGC00163977-02
    • NCGC00256929-01
    • NCGC00259306-01
    • BS-14441
    • Decanoic acid, methyl ester (FAME MIX)
    • DB-003720
    • D0023
    • NS00007926
    • S0308
    • Q22808395
    • BB30D0E8-DD7E-4A77-9781-4C29389B3F24
    • Methyl caprate, United States Pharmacopeia (USP) Reference Standard

  • Applications

    Methyl decanoate (CAS 110-42-9) is a long-chain fatty acid ester widely employed as a biodiesel surrogate in diesel combustion studies, a coconut-lactone-like flavour in food formulations, a fragrance component in perfumes and cosmetics, a non-polar solvent for essential-oil extraction, a carrier for neat aroma standards in GC-MS, a light lubricant and plasticizer for polymers, and an intermediate in the synthesis of surfactants, bio-active agents and high-performance lubricating oils.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6920.93
    methanol 6947.73
    isopropanol 6744.02
    water 0.05
    ethyl acetate 7213.5
    n-propanol 6058.2
    acetone 12089.41
    n-butanol 4782.69
    acetonitrile 6551.12
    DMF 5654.53
    toluene 2017.98
    isobutanol 4192.75
    1,4-dioxane 7098.17
    methyl acetate 4664.04
    THF 8882.02
    2-butanone 7712.01
    n-pentanol 3376.61
    sec-butanol 5477.35
    n-hexane 1395.26
    ethylene glycol 314.34
    NMP 3450.93
    cyclohexane 1658.43
    DMSO 7255.25
    n-butyl acetate 4879.99
    n-octanol 977.89
    chloroform 8843.99
    n-propyl acetate 5053.01
    acetic acid 3131.46
    dichloromethane 8717.62
    cyclohexanone 9306.09
    propylene glycol 825.36
    isopropyl acetate 4438.12
    DMAc 3103.19
    2-ethoxyethanol 3530.63
    isopentanol 4221.83
    n-heptane 402.74
    ethyl formate 2957.56
    1,2-dichloroethane 6503.74
    n-hexanol 2642.67
    2-methoxyethanol 5456.56
    isobutyl acetate 2345.09
    tetrachloromethane 1497.28
    n-pentyl acetate 2498.08
    transcutol 8937.75
    n-heptanol 961.58
    ethylbenzene 1064.26
    MIBK 2979.52
    2-propoxyethanol 3386.39
    tert-butanol 7633.45
    MTBE 7660.35
    2-butoxyethanol 1833.75
    propionic acid 2860.78
    o-xylene 1030.44
    formic acid 473.2
    diethyl ether 8783.87
    m-xylene 1145.45
    p-xylene 1332.89
    chlorobenzene 2584.97
    dimethyl carbonate 639.04
    n-octane 140.12
    formamide 1000.79
    cyclopentanone 7197.51
    2-pentanone 6775.95
    anisole 1856.04
    cyclopentyl methyl ether 5380.1
    gamma-butyrolactone 5958.51
    1-methoxy-2-propanol 4159.8
    pyridine 6341.67
    3-pentanone 3720.63
    furfural 3714.56
    n-dodecane 71.71
    diethylene glycol 1498.55
    diisopropyl ether 1799.75
    tert-amyl alcohol 5541.94
    acetylacetone 4442.21
    n-hexadecane 88.39
    acetophenone 1568.96
    methyl propionate 3570.14
    isopentyl acetate 3618.85
    trichloroethylene 9331.9
    n-nonanol 804.27
    cyclohexanol 4702.03
    benzyl alcohol 1457.57
    2-ethylhexanol 1697.91
    isooctanol 871.39
    dipropyl ether 2973.18
    1,2-dichlorobenzene 2031.58
    ethyl lactate 953.68
    propylene carbonate 2646.09
    n-methylformamide 3010.53
    2-pentanol 3681.92
    n-pentane 734.2
    1-propoxy-2-propanol 3094.9
    1-methoxy-2-propyl acetate 2834.66
    2-(2-methoxypropoxy) propanol 1287.98
    mesitylene 732.58
    ε-caprolactone 6110.86
    p-cymene 536.9
    epichlorohydrin 6805.18
    1,1,1-trichloroethane 6377.97
    2-aminoethanol 1287.49
    morpholine-4-carbaldehyde 3734.24
    sulfolane 5459.9
    2,2,4-trimethylpentane 253.66
    2-methyltetrahydrofuran 8970.43
    n-hexyl acetate 2625.3
    isooctane 198.96
    2-(2-butoxyethoxy)ethanol 2071.56
    sec-butyl acetate 2941.51
    tert-butyl acetate 3841.12
    decalin 476.25
    glycerin 794.05
    diglyme 4138.14
    acrylic acid 1588.34
    isopropyl myristate 732.83
    n-butyric acid 5744.07
    acetyl acetate 2536.57
    di(2-ethylhexyl) phthalate 534.15
    ethyl propionate 3533.79
    nitromethane 5815.16
    1,2-diethoxyethane 4482.41
    benzonitrile 2424.62
    trioctyl phosphate 412.9
    1-bromopropane 5391.49
    gamma-valerolactone 7682.65
    n-decanol 502.63
    triethyl phosphate 702.05
    4-methyl-2-pentanol 1558.11
    propionitrile 5066.35
    vinylene carbonate 2190.89
    1,1,2-trichlorotrifluoroethane 3724.85
    DMS 1320.26
    cumene 620.68
    2-octanol 825.81
    2-hexanone 4739.01
    octyl acetate 874.94
    limonene 1042.71
    1,2-dimethoxyethane 6745.01
    ethyl orthosilicate 741.81
    tributyl phosphate 609.19
    diacetone alcohol 3114.34
    N,N-dimethylaniline 1020.01
    acrylonitrile 4393.41
    aniline 2457.6
    1,3-propanediol 2302.9
    bromobenzene 2855.12
    dibromomethane 6612.11
    1,1,2,2-tetrachloroethane 7918.11
    2-methyl-cyclohexyl acetate 1451.21
    tetrabutyl urea 743.57
    diisobutyl methanol 882.58
    2-phenylethanol 1321.72
    styrene 1582.38
    dioctyl adipate 1022.96
    dimethyl sulfate 970.88
    ethyl butyrate 2895.51
    methyl lactate 957.2
    butyl lactate 1390.76
    diethyl carbonate 1384.02
    propanediol butyl ether 1471.39
    triethyl orthoformate 1532.58
    p-tert-butyltoluene 504.98
    methyl 4-tert-butylbenzoate 1057.09
    morpholine 10866.13
    tert-butylamine 4889.97
    n-dodecanol 351.45
    dimethoxymethane 3356.95
    ethylene carbonate 2197.62
    cyrene 941.39
    2-ethoxyethyl acetate 2569.51
    2-ethylhexyl acetate 2636.59
    1,2,4-trichlorobenzene 2158.6
    4-methylpyridine 5702.1
    dibutyl ether 2599.05
    2,6-dimethyl-4-heptanol 882.58
    DEF 5813.94
    dimethyl isosorbide 2026.84
    tetrachloroethylene 5214.04
    eugenol 1005.71
    triacetin 1617.64
    span 80 1317.05
    1,4-butanediol 819.04
    1,1-dichloroethane 7778.08
    2-methyl-1-pentanol 2748.3
    methyl formate 1596.3
    2-methyl-1-butanol 3718.02
    n-decane 166.04
    butyronitrile 5817.57
    3,7-dimethyl-1-octanol 1054.69
    1-chlorooctane 859.7
    1-chlorotetradecane 233.42
    n-nonane 185.9
    undecane 102.52
    tert-butylcyclohexane 403.38
    cyclooctane 350.86
    cyclopentanol 4313.39
    tetrahydropyran 12002.32
    tert-amyl methyl ether 4129.93
    2,5,8-trioxanonane 2158.07
    1-hexene 4692.82
    2-isopropoxyethanol 2716.02
    2,2,2-trifluoroethanol 608.88
    methyl butyrate 5341.25

    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
Amomum ptycholimatum Amomum ptycholimatum D. Fang, fam. Zingiberaceae 4.1%
Hop (Neomexicanus cultivar) (USA) 8007-04-3 Humulus lupulus L., var. neomeaxicanus Nels. & Cockerell, fam. Cannabaceae 0.31%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.01%
Hop (China) 8007-04-3 Humulus lupulus L., fam. Cannabaceae 2.51%
Magnolia grandiflora flower head space (China) 93062-76-1 Magnolia grandiflora L., fam. Magnoliaceae 3.49%
Dendranthema vestitum flower absolute (China) Dendranthema vestitum (Hemsl.) Ling ex Shih, fam. Asteraceae (Compositae) 0.62%
Dendrobium beckleri flower headspace Dendrobium beckleri Sw., fam. Orchidaceae 0.05%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.2%
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 1.61%
Soursop, fruit Annona muricata L., fam. Annonaceae 0.05%
Soursop, wild fruit Annona montana Macf., fam. Annonaceae 0.1%