Chaulmoogric Acid

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  • Identifiers

    CAS number
    29106-32-9

    Molecular formula
    C18H32O2

    SMILES
    C1C[C@@H](C=C1)CCCCCCCCCCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 71.59%
    Fatty 67.76%
    Oily 38.54%
    Sweet 27.13%
    Odorless 24.61%
    Balsamic 21.94%
    Creamy 21.6%
    Woody 20.42%
    Fishy 19.46%
    Savory 19.26%

     

    Flavor
    Fatty 56.65%
    Waxy 50.43%
    Mild 33.27%
    Oily 30.01%
    Fat 29.89%
    Faint 29.05%
    Odorless 26.32%
    Creamy 25.48%
    Coconut 24.86%
    Fruity 24.46%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.0

    pKa est.
    7.18 (neutral)

    Molecular weight
    280.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    378°C

    Flash point

    • 196.87 ˚C est.

  • Synonyms

    • chaulmoogric acid
    • 29106-32-9
    • (S)-2-Cyclopentene-1-tridecanoic acid
    • 13-[(1S)-cyclopent-2-en-1-yl]tridecanoic acid
    • 2-Cyclopentene-1-tridecanoic acid, (S)-
    • 6TD35V6OLU
    • 2-Cyclopentene-1-tridecanoic acid, (1S)-
    • DTXSID401031181
    • NSC-14979
    • NSC-26989
    • NSC-52425
    • 13-((1S)-cyclopent-2-en-1-yl)tridecanoic acid
    • CHEBI:27939
    • RefChem:918385
    • DTXCID301516198
    • 249-440-7
    • 13R-(2-cyclopentenyl)-tridecanoic acid
    • (S)-chaulmoogric acid
    • (S)-13-(cyclopent-2-en-1-yl)tridecanoic acid
    • 26989 AND 52425
    • CHEBI:61391
    • 2-Cyclopentene-1S-tridecanoic acid
    • UNII-6TD35V6OLU
    • 2-Cyclopentene-1-tridecanoic acid
    • EINECS 249-440-7
    • NSC 14979
    • BRN 3204530
    • (-)-Chaulmoograsauere
    • acido (S)-chaulmogrico
    • 2-Cyclopentene-1-tridecanoicacid, (1S)-
    • acide (S)-chaulmoogrique
    • 4-09-00-00216 (Beilstein Handbook Reference)
    • SCHEMBL560849
    • CHAULMOOGRIC ACID [MI]
    • CHEMBL2204421
    • BDBM50408824
    • LMFA01140055
    • (1s)-2-cyclopentene-1-tridecanoicacid
    • 13-(S)-cyclopent-2-enyl-tridecanoic acid
    • 13-[(S)-Cyclopent-2-enyl]-tridecansauere
    • 13-[(S)-cyclopent-2-enyl]-tridecanoic acid
    • (S)-13-(cyclopent-2-en-1-yl)tridecanoicacid
    • C08282
    • Q27131069
    • 29106-32-9

  • Applications

    Chaulmoogric acid is a natural long-chain fatty acid isolated from chaulmoogra oil. In industry and research, it is primarily used as a building block and reference material for organic synthesis and natural-product–based studies, including the preparation of esters and derivatives for pharmaceutical development research. It may also appear as a component or feedstock in cosmetic/personal care formulations and as an input for polymer and coating applications. In analytical work, it is often used as a reference compound for identifying and analyzing components of natural oils. Its use is typically exploratory and formulation-limited, and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 190.99
    methanol 118.48
    isopropanol 224.3
    water 0.01
    ethyl acetate 229.12
    n-propanol 180.49
    acetone 228.29
    n-butanol 200.61
    acetonitrile 48.73
    DMF 281.25
    toluene 75.09
    isobutanol 163.05
    1,4-dioxane 320.71
    methyl acetate 129.82
    THF 973.44
    2-butanone 238.54
    n-pentanol 155.84
    sec-butanol 189.73
    n-hexane 43.13
    ethylene glycol 6.96
    NMP 371.82
    cyclohexane 83.53
    DMSO 438.4
    n-butyl acetate 266.83
    n-octanol 85.42
    chloroform 403.6
    n-propyl acetate 288.27
    acetic acid 72.27
    dichloromethane 378.19
    cyclohexanone 493.45
    propylene glycol 37.37
    isopropyl acetate 274.15
    DMAc 422.44
    2-ethoxyethanol 246.22
    isopentanol 243.78
    n-heptane 27.98
    ethyl formate 90.76
    1,2-dichloroethane 325.23
    n-hexanol 145.2
    2-methoxyethanol 284.42
    isobutyl acetate 227.77
    tetrachloromethane 92.23
    n-pentyl acetate 271.32
    transcutol 982.11
    n-heptanol 97.74
    ethylbenzene 68.99
    MIBK 307.39
    2-propoxyethanol 279.3
    tert-butanol 314.54
    MTBE 390.31
    2-butoxyethanol 225.12
    propionic acid 90.05
    o-xylene 74.01
    formic acid 14.86
    diethyl ether 268.55
    m-xylene 79.72
    p-xylene 89.75
    chlorobenzene 118.7
    dimethyl carbonate 51.45
    n-octane 12.76
    formamide 31.81
    cyclopentanone 524.22
    2-pentanone 307.54
    anisole 159.88
    cyclopentyl methyl ether 405.22
    gamma-butyrolactone 426.0
    1-methoxy-2-propanol 358.2
    pyridine 196.07
    3-pentanone 180.53
    furfural 271.92
    n-dodecane 8.28
    diethylene glycol 110.23
    diisopropyl ether 129.35
    tert-amyl alcohol 263.58
    acetylacetone 311.8
    n-hexadecane 10.08
    acetophenone 175.38
    methyl propionate 159.11
    isopentyl acetate 301.4
    trichloroethylene 443.92
    n-nonanol 87.09
    cyclohexanol 233.4
    benzyl alcohol 107.12
    2-ethylhexanol 118.71
    isooctanol 109.39
    dipropyl ether 220.74
    1,2-dichlorobenzene 140.1
    ethyl lactate 106.8
    propylene carbonate 254.53
    n-methylformamide 81.81
    2-pentanol 179.62
    n-pentane 29.88
    1-propoxy-2-propanol 277.49
    1-methoxy-2-propyl acetate 295.0
    2-(2-methoxypropoxy) propanol 202.71
    mesitylene 68.4
    ε-caprolactone 406.48
    p-cymene 58.07
    epichlorohydrin 517.49
    1,1,1-trichloroethane 306.14
    2-aminoethanol 45.31
    morpholine-4-carbaldehyde 333.04
    sulfolane 671.7
    2,2,4-trimethylpentane 27.36
    2-methyltetrahydrofuran 576.26
    n-hexyl acetate 264.72
    isooctane 22.56
    2-(2-butoxyethoxy)ethanol 302.05
    sec-butyl acetate 250.39
    tert-butyl acetate 363.09
    decalin 39.46
    glycerin 52.01
    diglyme 578.14
    acrylic acid 45.07
    isopropyl myristate 107.92
    n-butyric acid 248.4
    acetyl acetate 123.39
    di(2-ethylhexyl) phthalate 84.51
    ethyl propionate 210.46
    nitromethane 141.49
    1,2-diethoxyethane 389.95
    benzonitrile 108.22
    trioctyl phosphate 65.96
    1-bromopropane 233.92
    gamma-valerolactone 602.33
    n-decanol 60.38
    triethyl phosphate 111.76
    4-methyl-2-pentanol 136.63
    propionitrile 80.19
    vinylene carbonate 159.72
    1,1,2-trichlorotrifluoroethane 306.9
    DMS 131.96
    cumene 60.55
    2-octanol 80.61
    2-hexanone 276.41
    octyl acetate 121.33
    limonene 102.82
    1,2-dimethoxyethane 462.54
    ethyl orthosilicate 121.26
    tributyl phosphate 85.66
    diacetone alcohol 350.28
    N,N-dimethylaniline 126.12
    acrylonitrile 64.71
    aniline 94.77
    1,3-propanediol 120.65
    bromobenzene 132.59
    dibromomethane 267.73
    1,1,2,2-tetrachloroethane 502.56
    2-methyl-cyclohexyl acetate 212.4
    tetrabutyl urea 121.54
    diisobutyl methanol 96.25
    2-phenylethanol 117.09
    styrene 74.87
    dioctyl adipate 156.32
    dimethyl sulfate 117.8
    ethyl butyrate 233.03
    methyl lactate 89.99
    butyl lactate 179.46
    diethyl carbonate 121.57
    propanediol butyl ether 184.78
    triethyl orthoformate 193.09
    p-tert-butyltoluene 60.63
    methyl 4-tert-butylbenzoate 207.06
    morpholine 495.99
    tert-butylamine 214.01
    n-dodecanol 43.01
    dimethoxymethane 268.93
    ethylene carbonate 161.73
    cyrene 193.69
    2-ethoxyethyl acetate 289.4
    2-ethylhexyl acetate 232.68
    1,2,4-trichlorobenzene 167.38
    4-methylpyridine 210.82
    dibutyl ether 206.13
    2,6-dimethyl-4-heptanol 96.25
    DEF 306.4
    dimethyl isosorbide 386.61
    tetrachloroethylene 292.16
    eugenol 165.94
    triacetin 264.68
    span 80 184.55
    1,4-butanediol 42.62
    1,1-dichloroethane 287.37
    2-methyl-1-pentanol 167.86
    methyl formate 45.63
    2-methyl-1-butanol 192.74
    n-decane 18.33
    butyronitrile 143.11
    3,7-dimethyl-1-octanol 114.16
    1-chlorooctane 83.01
    1-chlorotetradecane 27.23
    n-nonane 17.31
    undecane 11.6
    tert-butylcyclohexane 34.43
    cyclooctane 24.85
    cyclopentanol 234.8
    tetrahydropyran 531.81
    tert-amyl methyl ether 274.4
    2,5,8-trioxanonane 350.62
    1-hexene 121.81
    2-isopropoxyethanol 232.0
    2,2,2-trifluoroethanol 30.64
    methyl butyrate 293.8

    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