Encyclopedia / Emulsifiers / Pharmaceutical Intermediates / Organic Intermediate

METHYL LAURATE

CAS：111-82-0
MW:214.349
MF：C13H26O2

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. View more+

Email Tweet Share

Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
NMR Spectrum
Other Information
Computational chemical data
Related Questions
Realated Product Infomation

1. Names and Identifiers

1.1 Name: METHYL LAURATE

1.2 Synonyms: 11VO1; C12:0 METHYL ESTER; DODECANOIC ACID METHYL ESTER; Dodecanoic acid, methyl ester; EINECS 203-911-3; LAURIC ACID METHYL ESTER; Lauric acid methyl ester,Methyl dodecanoate; Lauric acid, methyl ester; METHYL DODECANOATE; Methyl dodecylate; Methyl n-dodecanoate; METHYL-DODECANATE; Methyldodecanoate; MFCD00008966; RARECHEM AL BF 0157; uniphata40;

View all

1.3 CAS No.: 111-82-0

1.4 CID: 8139

1.5 EINECS: 203-911-3

1.6 Molecular Formula: C13H26O2

1.7 Inchi: InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3

1.8 InChkey: UQDUPQYQJKYHQI-UHFFFAOYSA-N

1.9 Canonical Smiles: CCCCCCCCCCCC(=O)OC

1.10 Isomers Smiles: CCCCCCCCCCCC(=O)OC

2. Properties

2.1 Solubility: water: insoluble0.00759g/L at 25°C (practically)

2.2 AnalyticLaboratory Methods: DETERMINATION OF FATTY ACIDS IN FATS AND OILS BY GAS CHROMATOGRAPHY.

2.3 Appearance: Clear liquid

2.4 Storage: Ambient temperatures.

2.5 Chemical Properties: Methyl laurate has a fatty, floral odor reminiscent of wine.

2.6 Color/Form: COLORLESS LIQUID
Water-white liquid

2.7 Decomposition: When heated to decomposition it emits acrid smoke and irritating vapors.

2.8 Odor: FATTY, FLORAL ODOR REMINISCENT OF WINE

2.9 Physical: Liquid

2.10 Water Solubility: Insoluble Appearance:Clear liquid
Transport Information: GEN
Hazard Symbols:UN NO.
particular:particular

2.11 Spectral Properties: Index of refraction: 1.4301 @ 25 deg C/D
index of refraction: 1.4319 @ 20 deg C/D
IR: 2086 (Coblentz Society Spectral Collection)
NMR: 125 (Sadtler Research Laboratories Spectral Collection)
MASS: 1528 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)

2.12 StorageTemp: room temp

3. Use and Manufacturing

3.1 Definition: ChEBI: A fatty acid methyl ester of lauric acid.

3.2 Description: Methyl laurate (CAS 111-82-0) is a colorless liquid with a fruity odor. It has a basic structure consisting of a methyl ester of lauric acid. This chemical is soluble in organic solvents such as ethanol and ether, but has limited solubility in water. Methyl laurate has a boiling point of 216-218°C and a melting point of -8°C. It is a flammable liquid and should be handled with care. In addition, it is important to note that methyl laurate may cause irritation to the skin, eyes, and respiratory system.

Applicable Fields
Personal Care Products: Methyl laurate is commonly used in the formulation of personal care products such as lotions, creams, and hair care products. It acts as an emollient, providing moisturizing and conditioning properties to the skin and hair.

Flavor and Fragrance Industry: This chemical is also utilized in the flavor and fragrance industry. It can be found in various food products, cosmetics, and perfumes, contributing to their scent and flavor.

Mechanism of Action
Methyl laurate functions as an emollient by forming a protective barrier on the skin, preventing moisture loss and keeping the skin hydrated. In personal care products, it helps to improve the spreadability and texture of the formulations. In the flavor and fragrance industry, methyl laurate adds a pleasant aroma and taste to the products.

Storage Conditions
Store in a cool, dry place.

View all

3.3 GHS Classification: Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 290 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 51 of 290 companies. For more detailed information, please visit ECHA C&L website

Of the 6 notification(s) provided by 239 of 290 companies with hazard statement code(s):

H400 (79.92%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H411 (74.06%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P273, P391, and P501

View all

3.4 Methods of Manufacturing: BY PROLONGED BOILING OF LAURIC ACID; WITH METHANOL; IN THE PRESENCE OF SULFURIC ACID;.

3.5 Purification Methods: Pass the ester through alumina before use, and distil it in a vacuum. [Beilstein 2 IV 1090.] METHYL LAURATE Preparation Products And Raw materials Raw materials

4. Safety and Handling

4.1 Exposure Standards and Regulations: Methyl laurate is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and 2) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.

View all

4.2 Octanol/Water Partition Coefficient: log Kow= 5.41

4.3 DisposalMethods: SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

View all

4.4 Formulations/Preparations: Grades: 69%, 74%, 90%, 96%, 99.8%

4.5 Safety: Poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating vapors.

4.6 Specification: clear colorless to slightly yellow liquid
Safety Statements:24/25
24/25:Avoid contact with skin and eyes

4.7 Toxicity: LD50 orally in Rabbit: > 2000 mg/kg

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H400 Very toxic to aquatic life H411 Toxic to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P273 Avoid release to the environment.
Response	P391 Collect spillage.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

6. NMR Spectrum

IR : CCl4 solution

IR : liquid film

Raman : 4880 A,200 M,liquid

Mass

Mass spectrum (electron ionization)

7. Synthesis Route

111-82-0Total: 55 Synthesis Route

67-56-1 382 Suppliers

111-82-0 108 Suppliers

67-56-1 382 Suppliers

108698-02-8 12 Suppliers

1937-63-9 17 Suppliers

16326-32-2 24 Suppliers

2566-89-4 17 Suppliers

1120-25-8 32 Suppliers

112-62-9 142 Suppliers

112-63-0 63 Suppliers

2390-09-2 15 Suppliers

301-00-8 36 Suppliers

111-82-0 108 Suppliers

124-10-7 107 Suppliers

7132-64-1 22 Suppliers

112-39-0 116 Suppliers

1731-92-6 36 Suppliers

112-61-8 101 Suppliers

1120-28-1 46 Suppliers

929-77-1 36 Suppliers

21061-10-9 10 Suppliers

2734-47-6 18 Suppliers

13487-42-8 7 Suppliers

56219-06-8 15 Suppliers

35042-75-2

View all

8. Precursor and Product

precursor:

27563-67-3

125259-07-6

74785-93-6

112-16-3

14620-52-1

1120-16-7

143-07-7

26825-95-6

67-56-1

product:

1120-21-4

112-40-3

540-09-0

112-53-8

2437-25-4

629-25-4

5399-22-4

143-07-7

5456-57-5

53005-24-6

9. Computed Properties

Molecular Weight：214.349g/mol
Molecular Formula：C₁₃H₂₆O₂
Compound Is Canonicalized：True
XLogP3-AA：214.193280068
Monoisotopic Mass：214.193280068
Complexity：144
Rotatable Bond Count：11
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：26.3
Heavy Atom Count：：15
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACAgAICCAAABAAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

10.Other Information

Usage: 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.

BRN: 1767780

毒性: GRAS(FEMA)。

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.

View all

References: [1] Michael Ash, Handbook of Green Chemicals, 2004
[2] George A. Burdock, Encyclopedia of Food and Color Additives, Volume 1, 1996

Description: Methyl laurate has a fatty, floral odor reminiscent of wine. May be prepared by prolonged boiling of lauric acid with methanol in the presence of sulfuric acid. Methyl Laurate is a flavour ketone produced in a reaction biocatalyzed by microencapsulated fungal spores. Also used in production of biodiesel.

View all

Chemical Properties: Methyl laurate has a fatty, floral odor reminiscent of wine.

Chemical Properties: clear colorless to slightly yellow liquid

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

View all

Uses: Methyl laurate has been used in selective synthesis of the secondary amide surfactant, N-methyl lauroylethanolamide.

11. Toltal 98 Suppliers View more

Factory supply methyl laurate Cas 111-82-0

Tianjin Furun Tongda International Trade Co., LTD

^1YR

Tel: Update Time:2024/11/15

inquire

Hebei Yanxi Chemical Co.,Ltd

^1YR

Tel: Update Time:2024/11/14

inquire

Good steady quality Methyl Laurate Cas 111-82-0 with reasonable price

Wuhan Fortuna Chemical Co., Ltd.

^1YR

Tel: Update Time:2024/08/08

inquire

Factory supply methyl laurate Cas 111-82-0 from China

Hebei Crovell Biotech Co. Ltd

^1YR

Tel: Update Time:2024/11/15

inquire

CANGZHOU ENKE PHARMA-TECH CO.,LTD

^1YR

Tel: Update Time:2024/11/12

inquire

12. Related Questions

: How to prepare Methyl Laurate efficiently?Background and Overview METHYL LAURATE is an important raw material for daily cosmetic fragrance and soap making industry. It is also a raw material for the synthesis of a highly efficient, safe, non-..

13. Realated Product Infomation