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111-82-0

111-82-0 Structure

111-82-0 Structure
IdentificationMore
[Name]

METHYL LAURATE
[CAS]

111-82-0
[Synonyms]

C12:0 METHYL ESTER
DODECANOIC ACID METHYL ESTER
FEMA 2715
LAURIC ACID METHYL ESTER
METHYL-DODECANATE
METHYL DODECANOATE
METHYL LAURATE
RARECHEM AL BF 0157
Dodecylmethanoate
femanumber2715
Metholene 2296
metholene2296
Methyl dodecylate
Methyl laurinate
Methyl n-dodecanoate
methyldodecylate
methyllaurinate
methyln-dodecanoate
stepanc40
Uniphat A40
[EINECS(EC#)]

203-911-3
[Molecular Formula]

C13H26O2
[MDL Number]

MFCD00008966
[Molecular Weight]

214.34
[MOL File]

111-82-0.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to slightly yellow liquid
[Melting point ]

4-5 °C (lit.)
[Boiling point ]

262 °C/766 mmHg (lit.)
[density ]

0.87 g/mL at 25 °C(lit.)
[vapor pressure ]

0.55Pa at 25℃
[FEMA ]

2715
[refractive index ]

n20/D 1.432
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[solubility ]

water: insoluble0.00759g/L at 25°C (practically)
[form ]

Liquid
[color ]

Clear colorless to slightly yellow
[Odor]

at 100.00 %. waxy soapy creamy coconut mushroom
[biological source]

synthetic
[Odor Type]

waxy
[Water Solubility ]

Not miscible in water. Soluble in alcohol, dipropylene glycol.
[JECFA Number]

180
[BRN ]

1767780
[Henry's Law Constant]

8.3×10-3 mol/(m3Pa) at 25℃, Krop and Velzen (1997)
[Dielectric constant]

3.6000000000000001
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

SKIN CONDITIONING
PERFUMING
SKIN CONDITIONING - EMOLLIENT
[InChI]

1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3
[InChIKey]

UQDUPQYQJKYHQI-UHFFFAOYSA-N
[SMILES]

CCCCCCCCCCCC(=O)OC
[LogP]

5.41 at 36℃
[CAS DataBase Reference]

111-82-0(CAS DataBase Reference)
[EPA Substance Registry System]

Methyl laurate (111-82-0)
Safety DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Signal word ]

Warning
[Hazard statements ]

H410
[Precautionary statements ]

P273
[Hazard Codes ]

N
[Risk Statements ]

50
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 3082 9 / PGIII
[WGK Germany ]

1
[RTECS ]

OF0670000
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29159000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 2
[Hazardous Substances Data]

111-82-0(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: > 2000 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methanol-->Lauric acid-->Ethyl laurate
[Preparation Products]

1-Dodecanol-->4-Morpholineethanesulfonic acid-->LAURYL LAURATE-->CIS-7,10,13,16,19-DOCOSAPENTAENOIC ACID METHYL ESTER
Questions And AnswerBack Directory
[Description]

Methyl laurate has a fatty, floral odor reminiscent of wine. It can be used as a flavor ingredient in foods and pharmaceuticals, and as fragrance in perfumes. As an intermediate, methyl laurate is used for detergents, emulsifier, wetting agents, stabilizers, lubricants, plasticizers, textiles, plastics, and cosmetics. It can also be used as lubricant in textile spin finishes and emollient in cosmetics. It can be used as solvent, co-solvent, oil carrier for agric, pesticides and herbicides. It is also used as defoamer in food-contact coatings and paper/paperboards and it is used in resin-bonded filters for food contact.
[References]

[1] Michael Ash, Handbook of Green Chemicals, 2004
[2] George A. Burdock, Encyclopedia of Food and Color Additives, Volume 1, 1996
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to slightly yellow liquid
[Chemical Properties]

Methyl laurate has a fatty, floral odor reminiscent of wine.
[Occurrence]

Reported found in orris absolute, strawberry, apple, bilberry, rum, coconut, grapes, melon, papaya, pineapple, blackberry, mustard, cheeses, hop oil, cognac, white wine, cocoa, oats, plumcot, elderberry juice, loquat, babaco fruit (Carica pentagona Heilborn), Bourbon vanilla, mountain papaya, Chinese cabbage, mussels, cape gooseberry, pawpaw, banana, berries and blue cheese
[Uses]

Methyl dodecanoate used in production of biodiesel. It has been used in selective synthesis of the secondary amide surfactant, N-methyl lauroylethanolamide. It is also utilized as emollients, perfuming agents skin conditioning.
[Definition]

ChEBI: A fatty acid methyl ester of lauric acid.
[Taste threshold values]

Taste characteristics at 20 ppm: waxy, creamy, fatty with soapy, coconut nuances
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 54, p. 1213, 1989 DOI: 10.1021/jo00266a046
Synthetic Communications, 9, p. 539, 1979 DOI: 10.1080/00397917908060958
[General Description]

Hydrogenation of methyl laurate catalyzed by diatomite supported Pd-M (M=Cu, Co, Ni) bimetal nanocatalysts has been reported. IR absorption spectrum of methyl laurate in carbon tetrachloride and carbon disulphide solutions has been compared with the spectra of derivatives deuterated in the ω-methyl group and α-methylene groups.
[Flammability and Explosibility]

Nonflammable
[Synthesis]

Methyl laurate can be obtained by esterifying lauric acid with methanol. A mixture of lauric acid, anhydrous methanol and concentrated sulfuric acid is heated to reflux for 18 h. The reaction is poured into water and the ester layer is separated. It was w
[Purification Methods]

Pass the ester through alumina before use, and distil it in a vacuum. [Beilstein 2 IV 1090.]
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL LAURATE(111-82-0)MS
METHYL LAURATE(111-82-0)1HNMR
METHYL LAURATE(111-82-0)IR1
METHYL LAURATE(111-82-0)IR2
METHYL LAURATE(111-82-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methyl laurate, 96%(111-82-0)
[Alfa Aesar]

Methyl dodecanoate, 99%(111-82-0)
[Sigma Aldrich]

111-82-0(sigmaaldrich)
[TCI AMERICA]

Methyl Laurate,>98.0%(GC)(111-82-0)
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