Methyl Stearate

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  • Identifiers

    CAS number
    112-61-8

    Molecular formula
    C19H38O2

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)OC

    Retention indicies (RI)

    • DB5: 2129.75
    • Carbowax: 2412.25

  • Odor profile

    Waxy 79.41%
    Fatty 72.14%
    Oily 59.82%
    Sweet 34.32%
    Creamy 32.72%
    Odorless 27.99%
    Dairy 26.18%
    Soapy 22.02%
    Fruity 21.4%
    Milky 20.93%

    Scent© AI

  • Properties

    XLogP3-AA
    9.0

    pKa est.
    7.58 (neutral)

    Molecular weight
    298.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 100 °F (NTP, 1992)
    • 39.1 °C

    Boiling point

    • 828 to 829 °F at 747 mmHg (NTP, 1992)
    • 443 °C
    • Boiling point: 215 °C @ 15 mm Hg
    • 181.00 to 182.00 °C. @ 4.00 mm Hg

    Flash point est.
    156.42 ˚C

    Flash point expt.

    • 307 °F (NTP, 1992)
    • 307 °F (153 °C)

    Solubility expt.

    • less than 1 mg/mL at 72 °F (NTP, 1992)
    • Insol in water; sol in alcohol or ether.
    • Very sol in ether and chloroform

  • Synonyms

    • METHYL STEARATE
    • 112-61-8
    • Methyl octadecanoate
    • Octadecanoic acid, methyl ester
    • Stearic acid methyl ester
    • Methyl n-octadecanoate
    • Stearic acid, methyl ester
    • Metholene 2218
    • Kemester 9718
    • Kemester 9018
    • Emery 2218
    • n-Octadecanoic acid methyl ester
    • METHYLSTEARATE
    • NSC 9418
    • HSDB 2901
    • UNII-8D4NXF3ZH7
    • Methyl-d3Stearate
    • EINECS 203-990-4
    • 8D4NXF3ZH7
    • MFCD00009005
    • OCTADECANOIC ACID,METHYL ESTER
    • BRN 1786213
    • Kemester 4516
    • AI3-07960
    • NSC-9418
    • DTXSID2047640
    • Methyl ester of octadecanoic acid
    • n-Octadecanoic acid, methyl ester
    • EC 203-990-4
    • 4-02-00-01216 (Beilstein Handbook Reference)
    • WE(1:0/18:0)
    • METHYL STEARATE (II)
    • METHYL STEARATE [II]
    • METHYL STEARATE (USP-RS)
    • METHYL STEARATE [USP-RS]
    • Octadecanoic acid-methyl ester
    • Methyl Stearate; Octadecanoic acid methyl ester; Methyl octadecanoate
    • Methyl stearate (Standard)
    • C18 FAME
    • PASTELL M 180
    • SCHEMBL39262
    • octadecanoic acid methyl ester
    • METHYL STEARATE [HSDB]
    • WLN: 17VO1
    • DTXCID0027640
    • Methyl stearate, >=96%, FG
    • Methyl stearate, ~99% (GC)
    • CHEBI:69188
    • HY-B1934R
    • MSK1816
    • NSC9418
    • CS-D1357
    • HY-B1934
    • Methyl stearate, analytical standard
    • LMFA07010474
    • s5756
    • STL281377
    • AKOS015901560
    • FM74199
    • STEARIC ACID METHYL ESTER [MI]
    • AC-35013
    • BS-43767
    • SY027457
    • methyl stearate [standard material for gc]
    • DB-003728
    • Octadecanoic acid methyl ester (FAME MIX)
    • NS00001076
    • S0080
    • S0312
    • G75931
    • Q27137527
    • 6A62CF35-4D1C-47C0-8186-CAB436C59C3F
    • Methyl stearate, certified reference material, TraceCERT(R)
    • Methyl stearate, European Pharmacopoeia (EP) Reference Standard
    • Methyl stearate, United States Pharmacopeia (USP) Reference Standard
    • 203-990-4
    • InChI=1/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H

  • Applications

    Methyl stearate (CAS 112-61-8) is widely employed as a lubricant and release agent in metal working, plastics and rubber processing; a bio-based plasticizer that enhances flexibility and impact strength of polyolefins, PVC and polystyrene; an important intermediate for biodiesel production and other eco-friendly fuel additives; a dispersant and non-ionic surfactant in inks, coatings, agrochemicals and textile finishing; an additive that imparts gloss, body and a soft skin-feel to cosmetics, creams, soaps and detergents; a pharmaceutical excipient and carrier for poorly soluble actives; it is also found in polishes, candles, moisture-resistant paper and food-contact applications where it provides release, anti-tack and texture control.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 40.59
    methanol 44.3
    isopropanol 76.32
    water 0.01
    ethyl acetate 555.07
    n-propanol 75.29
    acetone 256.31
    n-butanol 101.49
    acetonitrile 114.68
    DMF 437.07
    toluene 191.71
    isobutanol 92.16
    1,4-dioxane 488.67
    methyl acetate 287.12
    THF 1135.94
    2-butanone 404.66
    n-pentanol 82.84
    sec-butanol 113.21
    n-hexane 58.6
    ethylene glycol 3.24
    NMP 990.32
    cyclohexane 316.64
    DMSO 453.94
    n-butyl acetate 612.92
    n-octanol 116.43
    chloroform 1363.79
    n-propyl acetate 679.88
    acetic acid 103.69
    dichloromethane 1419.39
    cyclohexanone 1368.04
    propylene glycol 13.02
    isopropyl acetate 538.54
    DMAc 709.81
    2-ethoxyethanol 190.12
    isopentanol 151.07
    n-heptane 67.73
    ethyl formate 199.56
    1,2-dichloroethane 972.54
    n-hexanol 91.74
    2-methoxyethanol 185.92
    isobutyl acetate 421.74
    tetrachloromethane 347.64
    n-pentyl acetate 796.41
    transcutol 1163.79
    n-heptanol 98.67
    ethylbenzene 158.6
    MIBK 483.05
    2-propoxyethanol 207.87
    tert-butanol 190.78
    MTBE 406.82
    2-butoxyethanol 275.85
    propionic acid 123.8
    o-xylene 187.65
    formic acid 14.41
    diethyl ether 316.49
    m-xylene 163.7
    p-xylene 242.85
    chlorobenzene 382.45
    dimethyl carbonate 94.48
    n-octane 30.06
    formamide 39.45
    cyclopentanone 1182.2
    2-pentanone 496.84
    anisole 336.89
    cyclopentyl methyl ether 725.13
    gamma-butyrolactone 1039.13
    1-methoxy-2-propanol 243.32
    pyridine 573.4
    3-pentanone 420.47
    furfural 717.89
    n-dodecane 15.26
    diethylene glycol 64.19
    diisopropyl ether 185.8
    tert-amyl alcohol 225.7
    acetylacetone 635.33
    n-hexadecane 19.83
    acetophenone 429.01
    methyl propionate 337.9
    isopentyl acetate 595.53
    trichloroethylene 1587.88
    n-nonanol 124.3
    cyclohexanol 314.72
    benzyl alcohol 169.09
    2-ethylhexanol 142.14
    isooctanol 123.59
    dipropyl ether 417.84
    1,2-dichlorobenzene 522.09
    ethyl lactate 171.61
    propylene carbonate 613.78
    n-methylformamide 124.01
    2-pentanol 110.42
    n-pentane 33.99
    1-propoxy-2-propanol 287.09
    1-methoxy-2-propyl acetate 504.93
    2-(2-methoxypropoxy) propanol 264.5
    mesitylene 145.72
    ε-caprolactone 1094.31
    p-cymene 140.78
    epichlorohydrin 1125.13
    1,1,1-trichloroethane 1179.29
    2-aminoethanol 17.21
    morpholine-4-carbaldehyde 736.34
    sulfolane 1652.25
    2,2,4-trimethylpentane 39.94
    2-methyltetrahydrofuran 925.69
    n-hexyl acetate 671.55
    isooctane 25.63
    2-(2-butoxyethoxy)ethanol 360.85
    sec-butyl acetate 538.94
    tert-butyl acetate 737.41
    decalin 98.84
    glycerin 25.81
    diglyme 945.07
    acrylic acid 79.02
    isopropyl myristate 214.9
    n-butyric acid 357.01
    acetyl acetate 339.34
    di(2-ethylhexyl) phthalate 140.32
    ethyl propionate 578.66
    nitromethane 328.22
    1,2-diethoxyethane 649.72
    benzonitrile 287.97
    trioctyl phosphate 110.33
    1-bromopropane 558.48
    gamma-valerolactone 1435.28
    n-decanol 75.94
    triethyl phosphate 285.15
    4-methyl-2-pentanol 98.85
    propionitrile 163.66
    vinylene carbonate 435.03
    1,1,2-trichlorotrifluoroethane 644.57
    DMS 320.44
    cumene 119.44
    2-octanol 114.21
    2-hexanone 505.49
    octyl acetate 247.18
    limonene 289.74
    1,2-dimethoxyethane 749.42
    ethyl orthosilicate 283.31
    tributyl phosphate 163.83
    diacetone alcohol 470.37
    N,N-dimethylaniline 244.93
    acrylonitrile 164.33
    aniline 181.52
    1,3-propanediol 47.78
    bromobenzene 501.22
    dibromomethane 903.28
    1,1,2,2-tetrachloroethane 1694.28
    2-methyl-cyclohexyl acetate 483.11
    tetrabutyl urea 255.62
    diisobutyl methanol 132.75
    2-phenylethanol 156.13
    styrene 192.25
    dioctyl adipate 346.87
    dimethyl sulfate 249.05
    ethyl butyrate 676.79
    methyl lactate 108.03
    butyl lactate 360.08
    diethyl carbonate 329.78
    propanediol butyl ether 192.82
    triethyl orthoformate 491.16
    p-tert-butyltoluene 132.35
    methyl 4-tert-butylbenzoate 440.05
    morpholine 670.78
    tert-butylamine 145.99
    n-dodecanol 53.74
    dimethoxymethane 289.76
    ethylene carbonate 429.04
    cyrene 302.35
    2-ethoxyethyl acetate 691.68
    2-ethylhexyl acetate 529.31
    1,2,4-trichlorobenzene 605.5
    4-methylpyridine 563.57
    dibutyl ether 485.27
    2,6-dimethyl-4-heptanol 132.75
    DEF 698.0
    dimethyl isosorbide 715.04
    tetrachloroethylene 1001.28
    eugenol 297.66
    triacetin 613.99
    span 80 270.62
    1,4-butanediol 21.69
    1,1-dichloroethane 805.81
    2-methyl-1-pentanol 129.16
    methyl formate 90.38
    2-methyl-1-butanol 130.5
    n-decane 38.51
    butyronitrile 229.6
    3,7-dimethyl-1-octanol 149.89
    1-chlorooctane 202.69
    1-chlorotetradecane 57.75
    n-nonane 38.86
    undecane 22.16
    tert-butylcyclohexane 70.02
    cyclooctane 70.55
    cyclopentanol 285.48
    tetrahydropyran 835.12
    tert-amyl methyl ether 392.0
    2,5,8-trioxanonane 516.26
    1-hexene 140.52
    2-isopropoxyethanol 201.08
    2,2,2-trifluoroethanol 56.37
    methyl butyrate 806.91

    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
Myrtle berry (Italy) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.4%
Jasmine absolute (India) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 2.2%
Jasmine oil (India) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 1.7%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.11%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Jasmine absolute (Egypt) 4 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 1.63%
Jasmine azoricum concrete Jasminum azoricum L., fam. Oleaceae 0.5%
Jasmine sambac (France) concrete Jasminum sambac (L.) Aiton, fam. Oleaceae 1.2%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 9.3%
Cilantro (Coriander leaf) 5a 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.06%
Cilantro (Coriander leaf) 5b 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.13%
Yarrow (Cuba) 84082-83-7 Achillea millefolium L., fam. Asteraceae (Compositae) 0.2%
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 0.26%
Carapa guianensis Carapa guianensis Aubl., fam. Meliaceae 0.05%
Geneps fruit (Cuba) Melicocca bijuga L., fam. Sapindaceae 0.1%
Soursop, wild fruit Annona montana Macf., fam. Annonaceae 0.01%