Methyl margarate

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  • Identifiers

    CAS number
    1731-92-6

    Molecular formula
    C18H36O2

    SMILES
    CCCCCCCCCCCCCCCCC(=O)OC

  • Odor profile

    Fragrance
    Waxy 78.95%
    Fatty 73.38%
    Oily 61.72%
    Sweet 36.94%
    Creamy 34.95%
    Dairy 28.11%
    Odorless 26.94%
    Fruity 25.01%
    Soapy 24.0%
    Milky 22.37%

     

    Flavor
    Waxy 70.33%
    Fatty 50.16%
    Oily 45.92%
    Mild 41.72%
    Soapy 37.54%
    Coconut 36.8%
    Fat 36.7%
    Creamy 30.53%
    Alkane 28.69%
    Bland 28.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.5

    pKa est.
    7.53 (neutral)

    Molecular weight
    284.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    344°C

    Flash point

    • 149.41 ˚C est.

  • Synonyms

    • METHYL HEPTADECANOATE
    • 1731-92-6
    • Methyl margarate
    • Heptadecanoic acid, methyl ester
    • Margaric acid methyl ester
    • Heptadecanoic acid methyl ester
    • 41PZK7H0KL
    • MFCD00009001
    • EINECS 217-055-3
    • NSC 97364
    • NSC-97364
    • AI3-36453
    • DTXSID3061924
    • n-Heptadecanoic acid methyl ester
    • WE(1:0/17:0)
    • methylheptadecanoate
    • UNII-41PZK7H0KL
    • Heptadecanoic acid,methyl ester
    • Heptadecanoic acid-methyl ester
    • formyl heptadecanoate
    • Methyl heptadecanoate, 95%
    • Methyl heptadecanoate, 99%
    • SCHEMBL346760
    • Methyl heptadecanoate, >=99%
    • DTXCID1035525
    • Methyl heptadecanoate (Standard)
    • MSK1815
    • CHEBI:136920
    • ALBB-025070
    • HY-W004290R
    • NSC97364
    • LMFA07010473
    • AKOS015903907
    • CS-W004290
    • HY-W004290
    • AS-49344
    • DA-65390
    • Methyl heptadecanoate, analytical standard
    • SY038301
    • H0566
    • NS00025676
    • H10839
    • Methyl heptadecanoate, purum, >=95.0% (GC)
    • B6629AC7-DDCA-4BCF-AFB1-744D9D2EE8F5
    • Q24735110
    • Methyl heptadecanoate, certified reference material, TraceCERT(R)
    • 217-055-3

  • Applications

    Methyl margarate (CAS 1731-92-6) is an ester with potential applications across several industries; in perfumery/fragrance it can serve as an odorant or fragrance component; in cosmetics/personal care it may function as a solvent or carrier with aromatic notes in formulations; in coatings, inks and cleaning formulations it can act as a processing solvent or co-solvent; in industrial manufacturing it may be used as an intermediate in organic synthesis; in polymers/plastics it may be used as a plasticizer or processing aid for certain polymer systems. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 84.7
    methanol 82.4
    isopropanol 156.46
    water 0.01
    ethyl acetate 876.3
    n-propanol 145.81
    acetone 439.45
    n-butanol 188.62
    acetonitrile 194.88
    DMF 673.09
    toluene 294.87
    isobutanol 169.98
    1,4-dioxane 730.29
    methyl acetate 452.11
    THF 1603.88
    2-butanone 654.79
    n-pentanol 142.56
    sec-butanol 207.82
    n-hexane 98.14
    ethylene glycol 5.26
    NMP 1264.56
    cyclohexane 474.48
    DMSO 681.62
    n-butyl acetate 907.17
    n-octanol 167.15
    chloroform 1868.98
    n-propyl acetate 988.53
    acetic acid 158.59
    dichloromethane 1929.27
    cyclohexanone 1948.07
    propylene glycol 21.99
    isopropyl acetate 801.68
    DMAc 959.67
    2-ethoxyethanol 298.08
    isopentanol 261.58
    n-heptane 101.4
    ethyl formate 315.3
    1,2-dichloroethane 1398.06
    n-hexanol 153.86
    2-methoxyethanol 309.9
    isobutyl acetate 600.68
    tetrachloromethane 466.02
    n-pentyl acetate 1032.87
    transcutol 1604.08
    n-heptanol 144.79
    ethylbenzene 233.14
    MIBK 704.05
    2-propoxyethanol 322.39
    tert-butanol 336.47
    MTBE 664.18
    2-butoxyethanol 380.28
    propionic acid 197.67
    o-xylene 270.6
    formic acid 20.68
    diethyl ether 554.12
    m-xylene 243.28
    p-xylene 351.19
    chlorobenzene 544.35
    dimethyl carbonate 133.24
    n-octane 41.68
    formamide 57.78
    cyclopentanone 1661.82
    2-pentanone 780.55
    anisole 469.56
    cyclopentyl methyl ether 1051.87
    gamma-butyrolactone 1435.5
    1-methoxy-2-propanol 388.03
    pyridine 870.56
    3-pentanone 632.09
    furfural 978.46
    n-dodecane 20.96
    diethylene glycol 99.35
    diisopropyl ether 288.93
    tert-amyl alcohol 370.13
    acetylacetone 915.22
    n-hexadecane 27.17
    acetophenone 564.3
    methyl propionate 520.57
    isopentyl acetate 844.91
    trichloroethylene 2198.29
    n-nonanol 173.53
    cyclohexanol 506.33
    benzyl alcohol 242.96
    2-ethylhexanol 216.95
    isooctanol 177.16
    dipropyl ether 629.34
    1,2-dichlorobenzene 693.97
    ethyl lactate 238.48
    propylene carbonate 825.29
    n-methylformamide 197.7
    2-pentanol 196.51
    n-pentane 57.15
    1-propoxy-2-propanol 430.4
    1-methoxy-2-propyl acetate 704.36
    2-(2-methoxypropoxy) propanol 347.31
    mesitylene 206.4
    ε-caprolactone 1525.52
    p-cymene 191.48
    epichlorohydrin 1552.27
    1,1,1-trichloroethane 1632.41
    2-aminoethanol 29.84
    morpholine-4-carbaldehyde 994.99
    sulfolane 2085.09
    2,2,4-trimethylpentane 56.68
    2-methyltetrahydrofuran 1357.37
    n-hexyl acetate 906.58
    isooctane 37.92
    2-(2-butoxyethoxy)ethanol 488.08
    sec-butyl acetate 769.13
    tert-butyl acetate 1040.4
    decalin 138.41
    glycerin 40.12
    diglyme 1226.08
    acrylic acid 117.75
    isopropyl myristate 286.73
    n-butyric acid 568.41
    acetyl acetate 484.06
    di(2-ethylhexyl) phthalate 182.33
    ethyl propionate 840.51
    nitromethane 490.85
    1,2-diethoxyethane 909.01
    benzonitrile 424.71
    trioctyl phosphate 145.51
    1-bromopropane 841.75
    gamma-valerolactone 1956.22
    n-decanol 107.3
    triethyl phosphate 362.18
    4-methyl-2-pentanol 161.82
    propionitrile 281.95
    vinylene carbonate 581.5
    1,1,2-trichlorotrifluoroethane 879.51
    DMS 424.8
    cumene 167.09
    2-octanol 161.2
    2-hexanone 745.48
    octyl acetate 328.33
    limonene 395.56
    1,2-dimethoxyethane 1087.27
    ethyl orthosilicate 360.33
    tributyl phosphate 215.0
    diacetone alcohol 674.51
    N,N-dimethylaniline 329.56
    acrylonitrile 273.17
    aniline 276.68
    1,3-propanediol 83.3
    bromobenzene 703.07
    dibromomethane 1264.12
    1,1,2,2-tetrachloroethane 2286.17
    2-methyl-cyclohexyl acetate 627.67
    tetrabutyl urea 325.87
    diisobutyl methanol 191.35
    2-phenylethanol 224.73
    styrene 287.86
    dioctyl adipate 443.21
    dimethyl sulfate 326.77
    ethyl butyrate 935.49
    methyl lactate 153.65
    butyl lactate 472.72
    diethyl carbonate 446.2
    propanediol butyl ether 266.09
    triethyl orthoformate 642.19
    p-tert-butyltoluene 178.7
    methyl 4-tert-butylbenzoate 546.33
    morpholine 1053.45
    tert-butylamine 252.9
    n-dodecanol 75.8
    dimethoxymethane 435.09
    ethylene carbonate 592.11
    cyrene 376.98
    2-ethoxyethyl acetate 903.45
    2-ethylhexyl acetate 734.37
    1,2,4-trichlorobenzene 798.39
    4-methylpyridine 842.25
    dibutyl ether 674.01
    2,6-dimethyl-4-heptanol 191.35
    DEF 1029.25
    dimethyl isosorbide 892.44
    tetrachloroethylene 1367.95
    eugenol 377.89
    triacetin 767.87
    span 80 359.99
    1,4-butanediol 35.56
    1,1-dichloroethane 1202.57
    2-methyl-1-pentanol 205.27
    methyl formate 137.15
    2-methyl-1-butanol 225.18
    n-decane 52.99
    butyronitrile 391.1
    3,7-dimethyl-1-octanol 210.35
    1-chlorooctane 277.39
    1-chlorotetradecane 79.57
    n-nonane 54.07
    undecane 30.45
    tert-butylcyclohexane 101.13
    cyclooctane 102.72
    cyclopentanol 448.84
    tetrahydropyran 1309.3
    tert-amyl methyl ether 593.01
    2,5,8-trioxanonane 671.0
    1-hexene 240.73
    2-isopropoxyethanol 304.05
    2,2,2-trifluoroethanol 76.72
    methyl butyrate 1170.23

    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) 0.01%