Heptadecanoic acid

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  • Identifiers

    CAS number
    506-12-7

    Molecular formula
    C17H34O2

    SMILES
    CCCCCCCCCCCCCCCCC(=O)O

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 2065.0
    • Carbowax: 2974.0

  • Odor profile

    Waxy 81.68%
    Fatty 77.4%
    Oily 44.09%
    Creamy 30.74%
    Odorless 28.81%
    Dairy 28.53%
    Milky 24.13%
    Soapy 24.05%
    Meaty 22.2%
    Coconut 21.19%

    Scent© AI

  • Properties

    XLogP3-AA
    6.9

    Molecular weight
    270.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 61.3 °C

    Boiling point

    • 363.00 to 364.00 °C. @ 760.00 mm Hg

    Flash point est.
    181.62 ˚C

    Solubility expt.

    • 4.2 mg/L @ 25 °C (exp)

  • Synonyms

    • HEPTADECANOIC ACID
    • 506-12-7
    • Margaric acid
    • n-Heptadecanoic acid
    • Margarinic acid
    • n-Heptadecylic acid
    • n-Heptadecoic acid
    • Heptadecylic acid
    • NSC 3743
    • C17:0
    • MFCD00002751
    • Normal-heptadecanoic acid
    • V987Y9OZ8L
    • CHEBI:32365
    • NSC-3743
    • 63399-94-0
    • EINECS 208-027-1
    • BRN 1781004
    • UNII-V987Y9OZ8L
    • Margarinsaeure
    • margaroic acid
    • Daturinic acid
    • Daturic acid
    • heptadecoic acid
    • AI3-36481
    • Heptadecanoic acic
    • X90
    • EINECS 270-298-7
    • Normal-heptadecanoate
    • heptadecansäure
    • Lead(2+) heptadecanoate
    • Heptadecanoic acid, 98%
    • DSSTox_CID_1596
    • EC 270-298-7
    • MARGARIC ACID [MI]
    • SCHEMBL5941
    • DSSTox_RID_78651
    • DSSTox_GSID_28306
    • Heptadecanoic acid, >=98%
    • 4-02-00-01193 (Beilstein Handbook Reference)
    • WLN: QV16
    • CH3-[CH2]15-COOH
    • CHEMBL1172910
    • DTXSID5021596
    • FA 17:0a
    • NSC3743
    • EINECS 264-123-3
    • EINECS 266-928-5
    • Tox21_202550
    • BBL013181
    • LMFA01010017
    • s3336
    • STL163960
    • AKOS005716689
    • CS-W004284
    • FA 17:0
    • FH63213
    • HY-W004284
    • NSC 122836
    • NCGC00260099-01
    • AS-57021
    • BP-27918
    • BP-30092
    • SY010570
    • SDA 19-005-00
    • CAS-67701-03-5
    • H0019
    • NS00019727
    • EN300-19173
    • EC 266-928-5
    • H10748
    • Q902204
    • 8EBAABCC-09B2-43FB-945D-A70E5905BFBE
    • Z104473032

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 72.43
    methanol 58.91
    isopropanol 115.03
    water 0.01
    ethyl acetate 170.3
    n-propanol 90.62
    acetone 94.73
    n-butanol 106.11
    acetonitrile 33.72
    DMF 253.11
    toluene 59.57
    isobutanol 97.92
    1,4-dioxane 171.48
    methyl acetate 93.38
    THF 697.35
    2-butanone 163.52
    n-pentanol 96.29
    sec-butanol 110.78
    n-hexane 50.74
    ethylene glycol 4.0
    NMP 514.86
    cyclohexane 114.86
    DMSO 378.24
    n-butyl acetate 305.91
    n-octanol 95.19
    chloroform 329.76
    n-propyl acetate 268.55
    acetic acid 51.97
    dichloromethane 327.85
    cyclohexanone 509.38
    propylene glycol 19.9
    isopropyl acetate 204.87
    DMAc 359.87
    2-ethoxyethanol 153.88
    isopentanol 150.04
    n-heptane 48.05
    ethyl formate 74.71
    1,2-dichloroethane 291.11
    n-hexanol 111.37
    2-methoxyethanol 167.57
    isobutyl acetate 213.1
    tetrachloromethane 96.22
    n-pentyl acetate 370.12
    transcutol 711.04
    n-heptanol 93.31
    ethylbenzene 66.14
    MIBK 237.43
    2-propoxyethanol 202.7
    tert-butanol 200.6
    MTBE 241.41
    2-butoxyethanol 220.07
    propionic acid 74.01
    o-xylene 67.9
    formic acid 9.46
    diethyl ether 148.91
    m-xylene 65.8
    p-xylene 95.76
    chlorobenzene 112.08
    dimethyl carbonate 36.84
    n-octane 20.85
    formamide 20.11
    cyclopentanone 536.98
    2-pentanone 210.13
    anisole 137.65
    cyclopentyl methyl ether 367.74
    gamma-butyrolactone 444.29
    1-methoxy-2-propanol 214.55
    pyridine 178.47
    3-pentanone 147.1
    furfural 289.69
    n-dodecane 11.13
    diethylene glycol 68.27
    diisopropyl ether 99.18
    tert-amyl alcohol 191.77
    acetylacetone 230.66
    n-hexadecane 13.62
    acetophenone 182.55
    methyl propionate 124.9
    isopentyl acetate 326.96
    trichloroethylene 416.09
    n-nonanol 97.35
    cyclohexanol 190.94
    benzyl alcohol 88.13
    2-ethylhexanol 120.91
    isooctanol 109.76
    dipropyl ether 258.35
    1,2-dichlorobenzene 155.8
    ethyl lactate 97.71
    propylene carbonate 257.3
    n-methylformamide 65.58
    2-pentanol 110.8
    n-pentane 27.76
    1-propoxy-2-propanol 250.64
    1-methoxy-2-propyl acetate 264.52
    2-(2-methoxypropoxy) propanol 187.39
    mesitylene 63.83
    ε-caprolactone 425.7
    p-cymene 70.4
    epichlorohydrin 443.54
    1,1,1-trichloroethane 302.84
    2-aminoethanol 24.94
    morpholine-4-carbaldehyde 343.38
    sulfolane 887.82
    2,2,4-trimethylpentane 27.35
    2-methyltetrahydrofuran 459.58
    n-hexyl acetate 333.39
    isooctane 20.76
    2-(2-butoxyethoxy)ethanol 261.27
    sec-butyl acetate 236.74
    tert-butyl acetate 324.89
    decalin 51.05
    glycerin 30.76
    diglyme 535.4
    acrylic acid 40.04
    isopropyl myristate 130.57
    n-butyric acid 199.68
    acetyl acetate 94.23
    di(2-ethylhexyl) phthalate 88.14
    ethyl propionate 209.49
    nitromethane 107.31
    1,2-diethoxyethane 339.0
    benzonitrile 106.29
    trioctyl phosphate 76.82
    1-bromopropane 211.15
    gamma-valerolactone 598.74
    n-decanol 65.26
    triethyl phosphate 139.55
    4-methyl-2-pentanol 93.53
    propionitrile 59.49
    vinylene carbonate 158.08
    1,1,2-trichlorotrifluoroethane 285.59
    DMS 136.08
    cumene 61.53
    2-octanol 93.51
    2-hexanone 253.27
    octyl acetate 146.33
    limonene 135.44
    1,2-dimethoxyethane 373.83
    ethyl orthosilicate 143.4
    tributyl phosphate 105.0
    diacetone alcohol 290.85
    N,N-dimethylaniline 123.6
    acrylonitrile 54.62
    aniline 70.9
    1,3-propanediol 60.53
    bromobenzene 134.24
    dibromomethane 245.21
    1,1,2,2-tetrachloroethane 492.56
    2-methyl-cyclohexyl acetate 266.6
    tetrabutyl urea 162.39
    diisobutyl methanol 104.75
    2-phenylethanol 100.57
    styrene 72.55
    dioctyl adipate 192.85
    dimethyl sulfate 107.58
    ethyl butyrate 288.68
    methyl lactate 66.57
    butyl lactate 214.0
    diethyl carbonate 137.42
    propanediol butyl ether 165.15
    triethyl orthoformate 235.25
    p-tert-butyltoluene 72.13
    methyl 4-tert-butylbenzoate 227.75
    morpholine 302.83
    tert-butylamine 149.27
    n-dodecanol 46.94
    dimethoxymethane 154.39
    ethylene carbonate 152.95
    cyrene 188.08
    2-ethoxyethyl acetate 289.17
    2-ethylhexyl acetate 275.73
    1,2,4-trichlorobenzene 187.78
    4-methylpyridine 199.25
    dibutyl ether 265.92
    2,6-dimethyl-4-heptanol 104.75
    DEF 278.79
    dimethyl isosorbide 431.21
    tetrachloroethylene 289.29
    eugenol 173.24
    triacetin 282.64
    span 80 193.98
    1,4-butanediol 25.51
    1,1-dichloroethane 224.63
    2-methyl-1-pentanol 114.92
    methyl formate 37.86
    2-methyl-1-butanol 118.88
    n-decane 26.45
    butyronitrile 102.77
    3,7-dimethyl-1-octanol 118.78
    1-chlorooctane 119.34
    1-chlorotetradecane 37.15
    n-nonane 26.87
    undecane 16.12
    tert-butylcyclohexane 44.73
    cyclooctane 32.54
    cyclopentanol 194.03
    tetrahydropyran 364.62
    tert-amyl methyl ether 214.77
    2,5,8-trioxanonane 318.5
    1-hexene 114.29
    2-isopropoxyethanol 158.84
    2,2,2-trifluoroethanol 23.12
    methyl butyrate 306.47

    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
Thyme 3 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 0.01%
Thyme 4 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 0.16%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.03%
Tamarind 3 fruit Tamarindus indica L., fam. Leguminosae 0.2%
Patchouli (China) 3a root 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.04%
Patchouli (China) 3b rhizome 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.2%
Rocket leaf 1 Eruca sativa L., fam. Brassicaceae 0.01%
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%