Tridecanoic acid

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  • Identifiers

    CAS number
    638-53-9

    Molecular formula
    C13H26O2

    SMILES
    CCCCCCCCCCCCC(=O)O

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 2590.0

  • Odor profile

    Fatty 84.7%
    Waxy 80.32%
    Oily 46.3%
    Dairy 43.92%
    Creamy 40.87%
    Milky 36.01%
    Cheesy 34.91%
    Soapy 33.96%
    Citrus 33.73%
    Coconut 32.37%

    Scent© AI

  • Properties

    XLogP3-AA
    4.7

    Molecular weight
    214.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 44.5 °C

    Boiling point

    • 312.4 °C

    Flash point est.
    153.79 ˚C

    Solubility expt.

    • 33 mg/L (at 20 °C)
    • 0.033 mg/mL

  • Synonyms

    • TRIDECANOIC ACID
    • 638-53-9
    • n-Tridecanoic acid
    • Tridecylic acid
    • n-Tridecoic acid
    • Tridecanoicacid
    • NSC 25955
    • MFCD00002741
    • CHEBI:45919
    • Tridecanoic acid anion
    • C13:0
    • DTXSID4021684
    • 19936LIY2V
    • NSC-25955
    • NSC-69131
    • FA 13:0
    • Tridecanoic acid, >=98%
    • WLN: QV12
    • NSC 69131; Tridecylic acid; n-Tridecanoic acid; n-Tridecoic acid
    • EINECS 211-341-1
    • NSC 69131
    • BRN 0508317
    • Tridecylate
    • n-Tridecanoate
    • UNII-19936LIY2V
    • n-Tridecoate
    • AI3-04166
    • EINECS 268-105-6
    • tridecansäure
    • dodecylcarboxylic acid
    • Tridecanoic acid, 98%
    • (S)-2-Aminotridecanoate
    • NCIOpen2_003250
    • SCHEMBL22778
    • 4-02-00-01117 (Beilstein Handbook Reference)
    • CHEMBL107874
    • DTXCID301684
    • SCHEMBL1686771
    • TRIDECANOIC ACID [FHFI]
    • FEMA NO. 4336
    • AAA63853
    • CS-D1510
    • HY-Y1718
    • NSC25955
    • NSC69131
    • Tox21_200537
    • BDBM50511038
    • LMFA01010013
    • s6113
    • Tridecanoic acid, analytical standard
    • AKOS009156483
    • DB02448
    • Tridecanoic acid, technical grade, 90%
    • NCGC00248684-01
    • NCGC00258091-01
    • AS-56729
    • BP-27914
    • CAS-638-53-9
    • SY027381
    • DB-344434
    • NS00015240
    • T0412
    • C17076
    • EN300-103548
    • H10745
    • Q419857
    • BCE7320D-E579-415F-96F0-658E54E16CF0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 877.3
    methanol 737.29
    isopropanol 1018.74
    water 0.01
    ethyl acetate 624.44
    n-propanol 746.36
    acetone 939.41
    n-butanol 734.1
    acetonitrile 235.1
    DMF 1122.74
    toluene 205.05
    isobutanol 702.79
    1,4-dioxane 731.64
    methyl acetate 347.7
    THF 2412.56
    2-butanone 824.34
    n-pentanol 666.35
    sec-butanol 774.67
    n-hexane 508.31
    ethylene glycol 42.45
    NMP 947.22
    cyclohexane 332.96
    DMSO 1664.61
    n-butyl acetate 932.02
    n-octanol 288.31
    chloroform 774.43
    n-propyl acetate 788.51
    acetic acid 272.91
    dichloromethane 788.38
    cyclohexanone 1429.65
    propylene glycol 171.48
    isopropyl acetate 645.43
    DMAc 757.06
    2-ethoxyethanol 689.8
    isopentanol 839.24
    n-heptane 178.23
    ethyl formate 287.77
    1,2-dichloroethane 812.12
    n-hexanol 665.78
    2-methoxyethanol 888.23
    isobutyl acetate 551.86
    tetrachloromethane 190.97
    n-pentyl acetate 665.65
    transcutol 1957.24
    n-heptanol 330.49
    ethylbenzene 184.72
    MIBK 730.46
    2-propoxyethanol 877.71
    tert-butanol 1314.92
    MTBE 1183.16
    2-butoxyethanol 591.56
    propionic acid 354.86
    o-xylene 173.81
    formic acid 49.17
    diethyl ether 984.36
    m-xylene 204.27
    p-xylene 241.85
    chlorobenzene 294.32
    dimethyl carbonate 97.63
    n-octane 58.1
    formamide 95.85
    cyclopentanone 1481.91
    2-pentanone 998.52
    anisole 338.15
    cyclopentyl methyl ether 1205.64
    gamma-butyrolactone 1117.48
    1-methoxy-2-propanol 999.2
    pyridine 587.91
    3-pentanone 518.39
    furfural 671.2
    n-dodecane 28.18
    diethylene glycol 356.85
    diisopropyl ether 385.18
    tert-amyl alcohol 996.37
    acetylacetone 720.08
    n-hexadecane 34.06
    acetophenone 352.24
    methyl propionate 426.08
    isopentyl acetate 866.03
    trichloroethylene 963.18
    n-nonanol 260.78
    cyclohexanol 832.42
    benzyl alcohol 274.43
    2-ethylhexanol 484.0
    isooctanol 328.44
    dipropyl ether 865.67
    1,2-dichlorobenzene 311.74
    ethyl lactate 244.02
    propylene carbonate 579.51
    n-methylformamide 368.84
    2-pentanol 707.01
    n-pentane 198.45
    1-propoxy-2-propanol 863.89
    1-methoxy-2-propyl acetate 674.57
    2-(2-methoxypropoxy) propanol 408.17
    mesitylene 162.57
    ε-caprolactone 993.41
    p-cymene 140.58
    epichlorohydrin 1203.75
    1,1,1-trichloroethane 670.29
    2-aminoethanol 233.82
    morpholine-4-carbaldehyde 793.11
    sulfolane 1698.09
    2,2,4-trimethylpentane 81.18
    2-methyltetrahydrofuran 1607.9
    n-hexyl acetate 705.12
    isooctane 74.96
    2-(2-butoxyethoxy)ethanol 655.81
    sec-butyl acetate 604.64
    tert-butyl acetate 839.48
    decalin 133.98
    glycerin 183.03
    diglyme 1110.74
    acrylic acid 176.47
    isopropyl myristate 253.41
    n-butyric acid 856.97
    acetyl acetate 262.9
    di(2-ethylhexyl) phthalate 180.16
    ethyl propionate 564.57
    nitromethane 427.23
    1,2-diethoxyethane 893.45
    benzonitrile 306.4
    trioctyl phosphate 163.04
    1-bromopropane 751.96
    gamma-valerolactone 1438.29
    n-decanol 182.63
    triethyl phosphate 228.06
    4-methyl-2-pentanol 439.18
    propionitrile 351.13
    vinylene carbonate 352.74
    1,1,2-trichlorotrifluoroethane 674.26
    DMS 271.29
    cumene 153.0
    2-octanol 270.34
    2-hexanone 913.8
    octyl acetate 292.57
    limonene 283.78
    1,2-dimethoxyethane 1204.91
    ethyl orthosilicate 248.63
    tributyl phosphate 216.34
    diacetone alcohol 826.1
    N,N-dimethylaniline 265.9
    acrylonitrile 288.25
    aniline 279.2
    1,3-propanediol 431.98
    bromobenzene 323.86
    dibromomethane 670.54
    1,1,2,2-tetrachloroethane 1061.77
    2-methyl-cyclohexyl acetate 482.76
    tetrabutyl urea 285.96
    diisobutyl methanol 294.4
    2-phenylethanol 316.62
    styrene 216.17
    dioctyl adipate 339.75
    dimethyl sulfate 227.76
    ethyl butyrate 623.11
    methyl lactate 202.72
    butyl lactate 426.53
    diethyl carbonate 290.93
    propanediol butyl ether 469.71
    triethyl orthoformate 425.81
    p-tert-butyltoluene 148.69
    methyl 4-tert-butylbenzoate 361.84
    morpholine 1368.58
    tert-butylamine 906.13
    n-dodecanol 131.96
    dimethoxymethane 661.37
    ethylene carbonate 351.57
    cyrene 348.96
    2-ethoxyethyl acetate 554.97
    2-ethylhexyl acetate 684.61
    1,2,4-trichlorobenzene 349.12
    4-methylpyridine 596.59
    dibutyl ether 655.86
    2,6-dimethyl-4-heptanol 294.4
    DEF 912.88
    dimethyl isosorbide 737.39
    tetrachloroethylene 644.19
    eugenol 318.06
    triacetin 461.51
    span 80 438.07
    1,4-butanediol 179.41
    1,1-dichloroethane 753.3
    2-methyl-1-pentanol 577.92
    methyl formate 160.57
    2-methyl-1-butanol 673.41
    n-decane 66.39
    butyronitrile 582.17
    3,7-dimethyl-1-octanol 348.86
    1-chlorooctane 273.67
    1-chlorotetradecane 83.88
    n-nonane 73.53
    undecane 40.55
    tert-butylcyclohexane 128.83
    cyclooctane 96.09
    cyclopentanol 919.81
    tetrahydropyran 1605.55
    tert-amyl methyl ether 769.14
    2,5,8-trioxanonane 673.44
    1-hexene 953.11
    2-isopropoxyethanol 622.04
    2,2,2-trifluoroethanol 73.03
    methyl butyrate 814.93

    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
Asparagus officinalis (China) stem Asparagus officinalis L., fam. Liliaceae 0.88%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 0.01%
Sideritis condensata Sideritis condensata Boiss. et Heldr., fam. Lamiaceae (Labiatae) 0.1%
Rue (Cuba) 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.07%
Anthoxanthum odoratum (Italy) 1b hay Anthoxanthum odoratum L., fam. Poaceae (Gramineae) 0.5%
Catharanthus roseus leaf Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.3%
Leea guineensis (Cameroon) 1b leaf Leea guineensis G. Don, fam. Leeaceae 1.0%
Murraya koenigii (India) Murraya koenigii (L.) Spreng., fam. Rutaceae 0.05%