Methyl tridecanoate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1731-88-0

    Molecular formula
    C14H28O2

    SMILES
    CCCCCCCCCCCCC(=O)OC

    Safety labels

    Corrosive
    Corrosive

    Retention indicies (RI)

    • DB5: 1635.0
    • Carbowax: 1895.0

  • Odor profile

    Fatty 76.82%
    Waxy 75.88%
    Oily 68.16%
    Fruity 52.26%
    Sweet 51.28%
    Creamy 44.39%
    Winey 38.85%
    Dairy 36.71%
    Cognac 35.75%
    Soapy 34.9%

    Scent© AI

  • Properties

    XLogP3-AA
    6.3

    Molecular weight
    228.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    283°C

    Flash point est.
    117.34 ˚C

  • Synonyms

    • METHYL TRIDECANOATE
    • 1731-88-0
    • Tridecanoic acid, methyl ester
    • Tridecanoic acid methyl ester
    • Methyl n-tridecanoate
    • UNII-O2H463RING
    • EINECS 217-054-8
    • O2H463RING
    • MFCD00008977
    • NSC 163375
    • BRN 1769695
    • n-Tridecanoic acid methyl ester
    • Methyl tridecanoate ester
    • NSC-163375
    • DTXSID8061923
    • Methyl ester of tridecanoic acid
    • 4-02-00-01118 (Beilstein Handbook Reference)
    • MethylTridecanoate
    • Methyl cocoate
    • Tridecanoic acid,methyl ester
    • tridecanoic acid-methyl ester
    • Tridecanoic Acid Methyl Ester; Methyl n-Tridecanoate; NSC 163375
    • methyl tridecylate
    • Methyl ntridecanoate
    • QSPL 203
    • SCHEMBL1647268
    • DTXCID6035524
    • CHEBI:143578
    • EINECS 267-018-0
    • Methyl tridecanoate, >=97% (GC)
    • NSC163375
    • AKOS015839775
    • CS-W004287
    • HY-W004287
    • Methyl tridecanoate, analytical standard
    • AS-60387
    • SY051771
    • DB-043928
    • NS00025675
    • T0960
    • H10828
    • Q24764359
    • EF80D759-D71D-495A-A128-F98E5A2D6415
    • 217-054-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1482.81
    methanol 1204.82
    isopropanol 1947.39
    water 0.02
    ethyl acetate 3682.29
    n-propanol 1644.85
    acetone 3972.41
    n-butanol 1614.49
    acetonitrile 1749.27
    DMF 2767.03
    toluene 1178.67
    isobutanol 1476.95
    1,4-dioxane 3469.73
    methyl acetate 2105.38
    THF 5373.89
    2-butanone 3513.21
    n-pentanol 1176.65
    sec-butanol 1792.51
    n-hexane 715.17
    ethylene glycol 56.0
    NMP 2440.36
    cyclohexane 1465.47
    DMSO 3253.44
    n-butyl acetate 2973.12
    n-octanol 555.22
    chloroform 5499.05
    n-propyl acetate 3206.43
    acetic acid 936.21
    dichloromethane 5546.47
    cyclohexanone 5887.07
    propylene glycol 199.87
    isopropyl acetate 2681.96
    DMAc 2197.16
    2-ethoxyethanol 1582.34
    isopentanol 1734.66
    n-heptane 337.84
    ethyl formate 1384.25
    1,2-dichloroethane 4210.03
    n-hexanol 1030.61
    2-methoxyethanol 2055.94
    isobutyl acetate 1667.35
    tetrachloromethane 1147.83
    n-pentyl acetate 2009.14
    transcutol 4840.34
    n-heptanol 527.09
    ethylbenzene 722.19
    MIBK 2049.64
    2-propoxyethanol 1577.19
    tert-butanol 2846.28
    MTBE 3764.15
    2-butoxyethanol 1107.8
    propionic acid 1077.28
    o-xylene 758.45
    formic acid 120.68
    diethyl ether 3863.58
    m-xylene 778.16
    p-xylene 970.49
    chlorobenzene 1654.96
    dimethyl carbonate 393.3
    n-octane 116.85
    formamide 282.0
    cyclopentanone 4715.01
    2-pentanone 3562.39
    anisole 1267.73
    cyclopentyl methyl ether 3514.98
    gamma-butyrolactone 3799.66
    1-methoxy-2-propanol 1975.02
    pyridine 3311.0
    3-pentanone 2177.27
    furfural 2556.96
    n-dodecane 54.71
    diethylene glycol 548.66
    diisopropyl ether 1110.68
    tert-amyl alcohol 2240.45
    acetylacetone 2888.86
    n-hexadecane 69.31
    acetophenone 1218.07
    methyl propionate 1989.32
    isopentyl acetate 2471.21
    trichloroethylene 6084.44
    n-nonanol 487.91
    cyclohexanol 2388.72
    benzyl alcohol 828.58
    2-ethylhexanol 933.11
    isooctanol 558.74
    dipropyl ether 2128.82
    1,2-dichlorobenzene 1612.26
    ethyl lactate 643.06
    propylene carbonate 1949.78
    n-methylformamide 1100.92
    2-pentanol 1491.45
    n-pentane 388.04
    1-propoxy-2-propanol 1677.25
    1-methoxy-2-propyl acetate 1904.6
    2-(2-methoxypropoxy) propanol 835.72
    mesitylene 560.18
    ε-caprolactone 4100.64
    p-cymene 440.74
    epichlorohydrin 4366.94
    1,1,1-trichloroethane 4498.44
    2-aminoethanol 289.78
    morpholine-4-carbaldehyde 2458.53
    sulfolane 4116.41
    2,2,4-trimethylpentane 176.36
    2-methyltetrahydrofuran 5288.37
    n-hexyl acetate 2011.46
    isooctane 137.05
    2-(2-butoxyethoxy)ethanol 1284.75
    sec-butyl acetate 2161.59
    tert-butyl acetate 2761.56
    decalin 380.73
    glycerin 243.69
    diglyme 2803.96
    acrylic acid 559.83
    isopropyl myristate 611.83
    n-butyric acid 2678.02
    acetyl acetate 1525.26
    di(2-ethylhexyl) phthalate 395.08
    ethyl propionate 2508.41
    nitromethane 2333.65
    1,2-diethoxyethane 2707.38
    benzonitrile 1417.01
    trioctyl phosphate 318.07
    1-bromopropane 3316.63
    gamma-valerolactone 5120.21
    n-decanol 305.45
    triethyl phosphate 645.88
    4-methyl-2-pentanol 823.18
    propionitrile 1903.9
    vinylene carbonate 1461.87
    1,1,2-trichlorotrifluoroethane 2328.05
    DMS 958.66
    cumene 460.74
    2-octanol 502.98
    2-hexanone 2620.2
    octyl acetate 700.17
    limonene 870.43
    1,2-dimethoxyethane 3842.82
    ethyl orthosilicate 657.03
    tributyl phosphate 468.23
    diacetone alcohol 1970.5
    N,N-dimethylaniline 774.9
    acrylonitrile 1653.4
    aniline 1193.93
    1,3-propanediol 690.57
    bromobenzene 2006.26
    dibromomethane 4126.66
    1,1,2,2-tetrachloroethane 5604.76
    2-methyl-cyclohexyl acetate 1247.05
    tetrabutyl urea 613.97
    diisobutyl methanol 602.95
    2-phenylethanol 756.5
    styrene 970.35
    dioctyl adipate 856.39
    dimethyl sulfate 698.36
    ethyl butyrate 2254.9
    methyl lactate 509.74
    butyl lactate 1040.43
    diethyl carbonate 1073.93
    propanediol butyl ether 795.76
    triethyl orthoformate 1331.1
    p-tert-butyltoluene 408.27
    methyl 4-tert-butylbenzoate 913.69
    morpholine 5091.27
    tert-butylamine 1882.2
    n-dodecanol 220.48
    dimethoxymethane 1764.14
    ethylene carbonate 1564.65
    cyrene 717.42
    2-ethoxyethyl acetate 1874.73
    2-ethylhexyl acetate 1918.76
    1,2,4-trichlorobenzene 1702.1
    4-methylpyridine 3070.48
    dibutyl ether 1855.99
    2,6-dimethyl-4-heptanol 602.95
    DEF 3485.68
    dimethyl isosorbide 1623.98
    tetrachloroethylene 3582.68
    eugenol 750.0
    triacetin 1333.96
    span 80 899.97
    1,4-butanediol 264.72
    1,1-dichloroethane 4600.28
    2-methyl-1-pentanol 1116.36
    methyl formate 632.62
    2-methyl-1-butanol 1499.53
    n-decane 134.84
    butyronitrile 2438.13
    3,7-dimethyl-1-octanol 639.66
    1-chlorooctane 665.83
    1-chlorotetradecane 188.33
    n-nonane 151.29
    undecane 78.77
    tert-butylcyclohexane 295.62
    cyclooctane 311.29
    cyclopentanol 2151.98
    tetrahydropyran 6322.38
    tert-amyl methyl ether 2397.68
    2,5,8-trioxanonane 1501.17
    1-hexene 1970.72
    2-isopropoxyethanol 1343.04
    2,2,2-trifluoroethanol 263.42
    methyl butyrate 3518.84

    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
Mustard seed (China) 1 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.08%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 0.01%