Undecanoic Acid

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  • Identifiers

    CAS number
    112-37-8

    Molecular formula
    C11H22O2

    SMILES
    CCCCCCCCCCC(=O)O

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1561.0
    • Carbowax: 2364.17

  • Odor profile

    Fatty 88.08%
    Waxy 79.28%
    Dairy 55.72%
    Cheesy 54.08%
    Oily 47.99%
    Creamy 47.18%
    Milky 44.2%
    Citrus 38.99%
    Coconut 38.31%
    Soapy 37.51%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 83.3 °F (USCG, 1999)
    • 28.6 °C

    Boiling point

    • 442.2 °F at 160 mmHg (USCG, 1999)

    Flash point est.
    140.55 ˚C

    Flash point expt.

    • greater than 230 °F (USCG, 1999)

    Solubility expt.

    • 0.0522 mg/mL
    • Insoluble in water; very soluble in alcohol, chloroform, acetone

  • Synonyms

    • UNDECANOIC ACID
    • 112-37-8
    • Hendecanoic acid
    • Undecylic acid
    • undecanoate
    • n-Undecanoic acid
    • n-Undecoic acid
    • n-Undecylic acid
    • Undecoic acid
    • 1-Decanecarboxylic acid
    • FEMA No. 3245
    • Undekansaeure
    • NSC-7885
    • Undecanoate [USAN]
    • CHEBI:32368
    • 138ON3IIQG
    • MFCD00002730
    • DTXSID8021690
    • Undecanoate;Hendecanoic acid
    • CH3-[CH2]9-COOH
    • UNDECANOIC ACID [FHFI]
    • DTXCID001690
    • C11:0
    • NSC7885
    • FA 11:0
    • undecanoicacid
    • 64118-43-0
    • 1-decanecarboxylate
    • CH3-(CH2)9-COOH
    • NSC 7885
    • EINECS 203-964-2
    • UNII-138ON3IIQG
    • BRN 1759287
    • nUndecylic acid
    • nUndecoic acid
    • AI3-02280
    • nUndecanoic acid
    • 1N-Undecoic acid
    • undecansäure
    • 1Decanecarboxylic acid
    • Undecanoic acid, 98%
    • 63400-07-7
    • bmse000563
    • Undecanoic acid (Standard)
    • SCHEMBL9266
    • NCIOpen2_009435
    • 4-02-00-01068 (Beilstein Handbook Reference)
    • WLN: QV10
    • UNDECANOIC ACID [INCI]
    • CHEMBL108030
    • GTPL5533
    • QSPL 035
    • QSPL 155
    • QSPL 192
    • Undecanoic acid, >=97%, FG
    • HMS3740G13
    • HY-W004282R
    • Tox21_201031
    • Undecanoic acid, analytical standard
    • BDBM50511006
    • LMFA01010011
    • AKOS000276906
    • CS-W004282
    • DS-6048
    • FU34729
    • HY-W004282
    • PB44018
    • NCGC00248901-01
    • NCGC00258584-01
    • BP-27912
    • CAS-112-37-8
    • FA(11:0)
    • SY007756
    • DB-222294
    • NS00014192
    • S9454
    • U0004
    • EN300-19485
    • C17715
    • P19940
    • Q425988
    • 75EF58E9-1C6B-4875-8B82-D0B7A10FAEA2
    • F2191-0248
    • Z104473988
    • 203-964-2

  • Applications

    Undecanoic acid (CAS 112-37-8) is an 11-carbon straight-chain fatty acid with versatile uses: in polymer chemistry it serves as a key monomer precursor for nylon-11 and other high-performance heat-resistant polyamides; as a component of surfactants and plasticizers it enhances emulsification, lubrication and flexibility in PVC, synthetic rubber and coatings; in cosmetics and pharmaceuticals its esters function as emollients and warm fatty fragrances, while the free acid’s inherent antifungal activity is exploited in topical creams; in agrochemicals it acts as an intermediate for non-ionic ester adjuvants that improve pesticide adhesion; furthermore, the long hydrophobic tail makes it valuable for surface modification of metal nanoparticles, for corrosion-resistant protective films, and as a biodegradable bio-lubricant additive that meets modern environmental regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2252.67
    methanol 2193.02
    isopropanol 2345.91
    water 0.03
    ethyl acetate 1017.3
    n-propanol 1706.0
    acetone 2476.26
    n-butanol 1483.06
    acetonitrile 541.88
    DMF 1836.61
    toluene 281.46
    isobutanol 1325.71
    1,4-dioxane 1208.92
    methyl acetate 562.55
    THF 3461.13
    2-butanone 1420.91
    n-pentanol 1268.11
    sec-butanol 1497.58
    n-hexane 894.42
    ethylene glycol 130.14
    NMP 1147.8
    cyclohexane 339.01
    DMSO 2910.97
    n-butyl acetate 1236.43
    n-octanol 415.51
    chloroform 980.98
    n-propyl acetate 1057.31
    acetic acid 580.19
    dichloromethane 977.11
    cyclohexanone 1859.36
    propylene glycol 406.08
    isopropyl acetate 898.48
    DMAc 908.71
    2-ethoxyethanol 1129.71
    isopentanol 1437.68
    n-heptane 193.54
    ethyl formate 444.31
    1,2-dichloroethane 998.1
    n-hexanol 1199.33
    2-methoxyethanol 1656.86
    isobutyl acetate 695.93
    tetrachloromethane 201.78
    n-pentyl acetate 709.44
    transcutol 2888.34
    n-heptanol 479.4
    ethylbenzene 222.29
    MIBK 985.95
    2-propoxyethanol 1422.18
    tert-butanol 2546.74
    MTBE 1815.72
    2-butoxyethanol 794.69
    propionic acid 640.36
    o-xylene 203.83
    formic acid 120.72
    diethyl ether 1735.8
    m-xylene 264.81
    p-xylene 282.73
    chlorobenzene 343.95
    dimethyl carbonate 137.9
    n-octane 64.1
    formamide 209.98
    cyclopentanone 1998.57
    2-pentanone 1696.8
    anisole 429.59
    cyclopentyl methyl ether 1713.03
    gamma-butyrolactone 1487.54
    1-methoxy-2-propanol 1687.58
    pyridine 812.73
    3-pentanone 777.94
    furfural 820.69
    n-dodecane 31.46
    diethylene glycol 649.17
    diisopropyl ether 543.41
    tert-amyl alcohol 1600.37
    acetylacetone 1035.66
    n-hexadecane 36.86
    acetophenone 402.15
    methyl propionate 635.62
    isopentyl acetate 1097.26
    trichloroethylene 1166.94
    n-nonanol 359.32
    cyclohexanol 1222.65
    benzyl alcohol 382.39
    2-ethylhexanol 688.04
    isooctanol 431.08
    dipropyl ether 1077.41
    1,2-dichlorobenzene 335.4
    ethyl lactate 317.24
    propylene carbonate 685.81
    n-methylformamide 691.93
    2-pentanol 1274.63
    n-pentane 298.72
    1-propoxy-2-propanol 1256.83
    1-methoxy-2-propyl acetate 874.9
    2-(2-methoxypropoxy) propanol 525.5
    mesitylene 198.9
    ε-caprolactone 1226.19
    p-cymene 152.98
    epichlorohydrin 1571.86
    1,1,1-trichloroethane 762.5
    2-aminoethanol 588.79
    morpholine-4-carbaldehyde 1021.99
    sulfolane 1925.52
    2,2,4-trimethylpentane 102.86
    2-methyltetrahydrofuran 2387.19
    n-hexyl acetate 834.03
    isooctane 99.01
    2-(2-butoxyethoxy)ethanol 888.45
    sec-butyl acetate 741.55
    tert-butyl acetate 1087.39
    decalin 152.43
    glycerin 379.69
    diglyme 1382.74
    acrylic acid 332.33
    isopropyl myristate 280.4
    n-butyric acid 1407.35
    acetyl acetate 356.82
    di(2-ethylhexyl) phthalate 211.04
    ethyl propionate 735.37
    nitromethane 761.27
    1,2-diethoxyethane 1206.08
    benzonitrile 406.0
    trioctyl phosphate 189.57
    1-bromopropane 943.42
    gamma-valerolactone 1827.04
    n-decanol 247.18
    triethyl phosphate 235.04
    4-methyl-2-pentanol 673.84
    propionitrile 660.65
    vinylene carbonate 435.55
    1,1,2-trichlorotrifluoroethane 872.57
    DMS 320.35
    cumene 180.0
    2-octanol 358.12
    2-hexanone 1298.0
    octyl acetate 330.39
    limonene 318.56
    1,2-dimethoxyethane 1760.0
    ethyl orthosilicate 259.4
    tributyl phosphate 247.63
    diacetone alcohol 1142.49
    N,N-dimethylaniline 314.15
    acrylonitrile 530.7
    aniline 428.13
    1,3-propanediol 886.24
    bromobenzene 364.06
    dibromomethane 831.43
    1,1,2,2-tetrachloroethane 1192.86
    2-methyl-cyclohexyl acetate 512.01
    tetrabutyl urea 315.82
    diisobutyl methanol 386.32
    2-phenylethanol 442.09
    styrene 272.28
    dioctyl adipate 376.73
    dimethyl sulfate 274.82
    ethyl butyrate 723.34
    methyl lactate 302.71
    butyl lactate 489.89
    diethyl carbonate 334.14
    propanediol butyl ether 689.32
    triethyl orthoformate 459.74
    p-tert-butyltoluene 165.15
    methyl 4-tert-butylbenzoate 381.6
    morpholine 2177.79
    tert-butylamine 1617.32
    n-dodecanol 177.73
    dimethoxymethane 1045.67
    ethylene carbonate 434.18
    cyrene 409.84
    2-ethoxyethyl acetate 652.61
    2-ethylhexyl acetate 823.19
    1,2,4-trichlorobenzene 364.45
    4-methylpyridine 839.85
    dibutyl ether 799.76
    2,6-dimethyl-4-heptanol 386.32
    DEF 1277.07
    dimethyl isosorbide 834.68
    tetrachloroethylene 775.07
    eugenol 378.76
    triacetin 494.8
    span 80 553.17
    1,4-butanediol 383.58
    1,1-dichloroethane 1025.05
    2-methyl-1-pentanol 976.04
    methyl formate 294.63
    2-methyl-1-butanol 1150.84
    n-decane 72.13
    butyronitrile 1025.94
    3,7-dimethyl-1-octanol 479.3
    1-chlorooctane 313.62
    1-chlorotetradecane 93.17
    n-nonane 81.33
    undecane 44.83
    tert-butylcyclohexane 159.89
    cyclooctane 102.91
    cyclopentanol 1396.58
    tetrahydropyran 2445.49
    tert-amyl methyl ether 1069.51
    2,5,8-trioxanonane 838.73
    1-hexene 1745.67
    2-isopropoxyethanol 956.3
    2,2,2-trifluoroethanol 120.28
    methyl butyrate 1069.22

    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
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.01%
Osmanthus concentrate 1 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.37%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 3.1%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.05%
Lemon (Japan) 4 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Machilus bombycina Machilus bombicyna King, fam. Lauraceae 1.5%
Averrhoa bilimbi fruit (Malaysia) Averrhoa bilimbi L., fam. Oxalidaceae 0.01%
Lime (Persian) (Japan) Citrus latifolia Tanaka, fam. Rutaceae 0.02%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 1.2%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.1%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.05%
Cassia, bark (China) 4a 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.05%
Cassia, leaf (China) 4b 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Anthoxanthum odoratum (Italy) 1b hay Anthoxanthum odoratum L., fam. Poaceae (Gramineae) 0.3%
Leea guineensis (Cameroon) 1a wood Leea guineensis G. Don, fam. Leeaceae 1.0%
Leea guineensis (Cameroon) 1b leaf Leea guineensis G. Don, fam. Leeaceae 1.0%