Pentadecanoic Acid

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  • Identifiers

    CAS number
    1002-84-2

    Molecular formula
    C15H30O2

    SMILES
    CCCCCCCCCCCCCCC(=O)O

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 2812.0

  • Odor profile

    Waxy 81.06%
    Fatty 80.91%
    Oily 45.17%
    Creamy 35.24%
    Dairy 34.86%
    Milky 29.29%
    Soapy 28.76%
    Odorless 26.29%
    Coconut 26.14%
    Citrus 25.56%

    Scent© AI

  • Properties

    XLogP3-AA
    5.8

    Molecular weight
    242.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    332°C

    Melting point expt.

    • 52.3 °C

    Flash point est.
    167.89 ˚C

  • Synonyms

    • PENTADECANOIC ACID
    • 1002-84-2
    • Pentadecylic acid
    • n-Pentadecanoic acid
    • Pentadecyclic acid
    • n-Pentadecylic acid
    • NSC 28486
    • C15:0
    • Pentadecyclate
    • n-Pentadecylate
    • n-Pentadecanoate
    • EINECS 213-693-1
    • UNII-CCW02D961F
    • MFCD00002745
    • 2,2-DIDEUTEROPENTADECANOIC ACID
    • BRN 1773831
    • DTXSID2021652
    • CHEBI:42504
    • AI3-36441
    • NSC-28486
    • Pentadecanoic acid, 99%
    • CCW02D961F
    • CHEMBL460025
    • DTXCID601652
    • 64118-45-2
    • FEMA NO. 4334
    • PENTADECANOIC ACID [FHFI]
    • 4-02-00-01147 (Beilstein Handbook Reference)
    • NSC28486
    • FA 15:0
    • F15
    • pentadecylate
    • nPentadecanoic acid
    • fatty acid 15:0
    • pentadecansäure
    • PENTADECANOICACID
    • tetradecylcarboxylic acid
    • tetradecyl carboxylic acid
    • bmse000558
    • SCHEMBL6311
    • Pentadecanoic acid, >=99%
    • WLN: QV14
    • FA 15:0a
    • Tox21_201197
    • BDBM50242348
    • LMFA01010015
    • s6234
    • STL453783
    • AKOS015903762
    • CS-W004283
    • HY-W004283
    • Pentadecanoic acid, analytical standard
    • NCGC00248954-01
    • NCGC00258749-01
    • AS-57005
    • BP-27916
    • SY009985
    • CAS-1002-84-2
    • Pentadecanoic acid, ~99% (capillary GC)
    • DB-343938
    • NS00015703
    • P0035
    • EN300-176407
    • H10804
    • 9B1C70C0-EF6E-4FCF-A3D3-DACCDCCF791C
    • Q418951
    • 213-693-1

  • Applications

    Pentadecanoic acid (CAS 1002-84-2) is a rare 15-carbon straight-chain fatty acid found at low levels in milk and ruminant fat; in industry and research it is employed as an internal standard in gas and liquid chromatography and as an isotopic reference for fatty-acid quantification, serves as an intermediate for synthesizing flavor esters, surfactants and biodegradable polymers, and, owing to its characteristic presence in dairy products, functions as a biomarker that allows nutrition scientists to estimate dairy-fat intake in epidemiological studies on metabolic health, cardiovascular disease and diabetes, while also being explored for its ability to modulate membrane permeability in cell models.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 232.58
    methanol 172.61
    isopropanol 311.35
    water 0.01
    ethyl acetate 298.05
    n-propanol 239.61
    acetone 236.31
    n-butanol 260.67
    acetonitrile 75.2
    DMF 491.45
    toluene 106.01
    isobutanol 246.73
    1,4-dioxane 317.31
    methyl acetate 162.52
    THF 1191.31
    2-butanone 330.3
    n-pentanol 240.12
    sec-butanol 275.31
    n-hexane 145.68
    ethylene glycol 10.4
    NMP 673.67
    cyclohexane 187.37
    DMSO 709.22
    n-butyl acetate 525.86
    n-octanol 157.11
    chloroform 477.28
    n-propyl acetate 440.68
    acetic acid 98.81
    dichloromethane 480.11
    cyclohexanone 821.59
    propylene glycol 50.57
    isopropyl acetate 340.89
    DMAc 508.02
    2-ethoxyethanol 311.07
    isopentanol 334.04
    n-heptane 91.4
    ethyl formate 133.07
    1,2-dichloroethane 465.01
    n-hexanol 255.57
    2-methoxyethanol 357.51
    isobutyl acetate 333.03
    tetrachloromethane 128.8
    n-pentyl acetate 479.61
    transcutol 1127.85
    n-heptanol 163.39
    ethylbenzene 109.07
    MIBK 394.96
    2-propoxyethanol 400.08
    tert-butanol 462.99
    MTBE 501.81
    2-butoxyethanol 342.77
    propionic acid 143.96
    o-xylene 107.93
    formic acid 17.19
    diethyl ether 353.42
    m-xylene 114.1
    p-xylene 149.51
    chlorobenzene 177.58
    dimethyl carbonate 53.81
    n-octane 33.89
    formamide 35.7
    cyclopentanone 839.21
    2-pentanone 421.54
    anisole 212.55
    cyclopentyl methyl ether 626.69
    gamma-butyrolactone 660.62
    1-methoxy-2-propanol 439.32
    pyridine 310.04
    3-pentanone 257.88
    furfural 424.37
    n-dodecane 17.18
    diethylene glycol 142.89
    diisopropyl ether 189.12
    tert-amyl alcohol 412.93
    acetylacetone 371.24
    n-hexadecane 20.93
    acetophenone 250.05
    methyl propionate 215.66
    isopentyl acetate 523.12
    trichloroethylene 611.74
    n-nonanol 152.88
    cyclohexanol 377.37
    benzyl alcohol 152.45
    2-ethylhexanol 238.97
    isooctanol 182.11
    dipropyl ether 467.95
    1,2-dichlorobenzene 217.67
    ethyl lactate 147.87
    propylene carbonate 361.79
    n-methylformamide 135.86
    2-pentanol 262.41
    n-pentane 68.93
    1-propoxy-2-propanol 450.89
    1-methoxy-2-propyl acetate 404.57
    2-(2-methoxypropoxy) propanol 269.11
    mesitylene 99.88
    ε-caprolactone 624.46
    p-cymene 98.83
    epichlorohydrin 703.43
    1,1,1-trichloroethane 431.53
    2-aminoethanol 66.22
    morpholine-4-carbaldehyde 505.75
    sulfolane 1179.47
    2,2,4-trimethylpentane 44.63
    2-methyltetrahydrofuran 803.47
    n-hexyl acetate 466.47
    isooctane 37.93
    2-(2-butoxyethoxy)ethanol 399.14
    sec-butyl acetate 367.9
    tert-butyl acetate 499.98
    decalin 79.92
    glycerin 65.46
    diglyme 746.01
    acrylic acid 72.8
    isopropyl myristate 180.46
    n-butyric acid 382.15
    acetyl acetate 142.2
    di(2-ethylhexyl) phthalate 122.68
    ethyl propionate 330.72
    nitromethane 184.85
    1,2-diethoxyethane 528.9
    benzonitrile 174.83
    trioctyl phosphate 109.33
    1-bromopropane 384.4
    gamma-valerolactone 889.8
    n-decanol 105.98
    triethyl phosphate 174.11
    4-methyl-2-pentanol 195.23
    propionitrile 129.5
    vinylene carbonate 220.56
    1,1,2-trichlorotrifluoroethane 417.95
    DMS 183.72
    cumene 97.37
    2-octanol 151.04
    2-hexanone 460.39
    octyl acetate 204.53
    limonene 194.52
    1,2-dimethoxyethane 634.68
    ethyl orthosilicate 184.25
    tributyl phosphate 147.54
    diacetone alcohol 463.91
    N,N-dimethylaniline 180.37
    acrylonitrile 112.78
    aniline 132.47
    1,3-propanediol 145.79
    bromobenzene 206.3
    dibromomethane 381.28
    1,1,2,2-tetrachloroethane 704.84
    2-methyl-cyclohexyl acetate 357.44
    tetrabutyl urea 210.65
    diisobutyl methanol 172.88
    2-phenylethanol 173.09
    styrene 122.82
    dioctyl adipate 250.15
    dimethyl sulfate 145.75
    ethyl butyrate 420.64
    methyl lactate 107.39
    butyl lactate 295.68
    diethyl carbonate 192.22
    propanediol butyl ether 263.23
    triethyl orthoformate 312.74
    p-tert-butyltoluene 102.2
    methyl 4-tert-butylbenzoate 279.3
    morpholine 598.46
    tert-butylamine 342.1
    n-dodecanol 77.04
    dimethoxymethane 289.29
    ethylene carbonate 215.16
    cyrene 249.4
    2-ethoxyethyl acetate 384.11
    2-ethylhexyl acetate 424.23
    1,2,4-trichlorobenzene 255.09
    4-methylpyridine 333.4
    dibutyl ether 408.9
    2,6-dimethyl-4-heptanol 172.88
    DEF 478.73
    dimethyl isosorbide 551.09
    tetrachloroethylene 417.66
    eugenol 228.26
    triacetin 356.2
    span 80 286.06
    1,4-butanediol 59.14
    1,1-dichloroethane 378.97
    2-methyl-1-pentanol 246.12
    methyl formate 66.44
    2-methyl-1-butanol 267.56
    n-decane 40.58
    butyronitrile 224.66
    3,7-dimethyl-1-octanol 194.12
    1-chlorooctane 175.11
    1-chlorotetradecane 55.06
    n-nonane 42.64
    undecane 24.81
    tert-butylcyclohexane 73.3
    cyclooctane 52.64
    cyclopentanol 391.56
    tetrahydropyran 710.88
    tert-amyl methyl ether 392.46
    2,5,8-trioxanonane 443.6
    1-hexene 305.48
    2-isopropoxyethanol 298.4
    2,2,2-trifluoroethanol 34.35
    methyl butyrate 481.78

    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
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.03%
Cinnamomum parthenoxylon (Vietnam) 1a Cinnamomum parthenoxylon (Jack) Nees, fam. Lauraceae 0.5%
Cinnamomum parthenoxylon (Vietnam) 1b Cinnamomum parthenoxylon (Jack) Nees, fam. Lauraceae 0.2%
Averrhoa bilimbi fruit (Malaysia) Averrhoa bilimbi L., fam. Oxalidaceae 0.3%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 2.5%
Sideritis condensata Sideritis condensata Boiss. et Heldr., fam. Lamiaceae (Labiatae) 0.2%
Acacia confusa flower (China) Acacia confusa Merr., fam. Mimosaceae (Leguminosae) 0.15%
Tamarind 3 fruit Tamarindus indica L., fam. Leguminosae 0.5%
Pelargonium sidoides Pelargonium sidoides DC., fam. Geraniaceae 0.2%
Colocasia esculenta (Taro) Colocasia esculenta (L.) Schott, fam. Araceae 0.9%
Rollinia mucosa fruit Rollinia mucosa (Jacq.) Baill, fam. Annonaceae 0.2%
Lantana camara (India) 1a leaf 90046-17-6 Lantana camara L., fam. Verbenaceae 0.1%
Lantana camara (India) 1b flower 90046-17-6 Lantana camara L., fam. Verbenaceae 0.5%
Anthoxanthum odoratum (Italy) 1b hay Anthoxanthum odoratum L., fam. Poaceae (Gramineae) 0.4%
Catharanthus roseus marcs Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.4%
Yarrow (India) 84082-83-7 Achillea millefolium L., fam. Asteraceae (Compositae) 0.1%
Rocket leaf 1 Eruca sativa L., fam. Brassicaceae 0.01%
Leea guineensis (Cameroon) 1a wood Leea guineensis G. Don, fam. Leeaceae 5.1%
Leea guineensis (Cameroon) 1b leaf Leea guineensis G. Don, fam. Leeaceae 2.1%
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%
Geneps fruit (Cuba) Melicocca bijuga L., fam. Sapindaceae 0.5%
Baga fruit Annona glabra L., fam. Annonaceae 0.01%