Lauryl Laurate

HCID 84113

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Basic information

CAS: 13945-76-1
Standard SMILES: CCCCCCCCCCCCOC(=O)CCCCCCCCCCC
InChIKey: CYUUZGXOQDCCGH-UHFFFAOYSA-N
Molecular formula: C24H48O2
Average molar mass: 368.6 g/mol
Monoisotopic mass: 368.36543077

Overview

Dodecyl dodecanoate is a dodecanoate ester resulting from the formal condensation of the carboxy group of dodecanoic acid with the hydroxy group of dodecan-1-ol. It is functionally related to a dodecan-1-ol.

Names & identifiers

Preferred name: Lauryl Laurate
IUPAC: dodecyl dodecanoate
English name: LAURYL LAURATE
Molecular formula: C24H48O2
Molecular weight: 368.64

Names & synonyms

Lauryl lauratedodecyl dodecanoateDodecanoic acid, dodecyl esterDodecyl laurateLauric acid, dodecyl esterUNII-GPW77G0937GPW77G0937EINECS 237-725-9NSC 404384NSC-404384AI3-18181DTXSID6065684

Show more names

olacidesterodecyldodecanoateDODECYDODECANOATELAURIC ACID LAURYL ESTERdodecanoicacid,dodecylesterLauric acid lauryl ester, Lauryl laurate

CHEBI:141061RefChem:152533LAURYL LAURATE [INCI]DTXCID4034522CYUUZGXOQDCCGH-UHFFFAOYSA-N13945-76-1dodecanyl dodecanoateDodecanoic acid,dodecyl ester

Database identifiers

CAS: 13945-76-1
PubChem CID: 84113
DTXSID: DTXSID6065684
ChEBI: CHEBI:141061
UNII: GPW77G0937
EC Number: 237-725-9
Nikkaji: J115.179G

Properties

Computed structural properties

XLogP: 10.9
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 22
Heavy atoms: 26
Formal charge: 0
Complexity: 275

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

CosmeticsCosmetic ingredients (Lauryl Laurate) -> CIR (Cosmetic Ingredient Review)

Physical DescriptionLiquid

Physicochemical properties

Melting point: 27 °C · 27 °C
Boiling point: 226 °C · 226 °C
Density: 0.86 · 0.860±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Cosmetics Ingredients Functions: HAIR CONDITIONINGSKIN CONDITIONING
Cosmetic Ingredient Review (CIR): LAURYL LAURATE (13945-76-1)
LogP: 10.975 · 10.975 (est)
EWG's Food Scores: 1 · 1
FDA UNII: 77 G0937 · GPW77G0937
EPA Substance Registry System: Lauryl laurate (13945-76-1)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338
WGK Germany: 3 · 3
TSCA: TSCA listed
REACH Registrations: Active

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (30 of 30) of all reports.

Not Classified

Aggregated GHS information provided per 30 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: Dodecanoic acid, dodecyl ester

Dodecanoic acid, dodecyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Dodecanoic acid, dodecyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: Dodecyl laurate (EC: 237-725-9)

Other Safety InformationIMAP assessments - Dodecanoic acid, dodecyl ester: Human health tier I assessment

EPA Safer ChemicalChemical: Lauryl laurate

Hazard Classes and CategoriesNot Classified

Toxicology

Toxicity Summary · 2 items

The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.

Safe for use in cosmetics, with qualifications

Safety data

wgk: 3
tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
REACH Registrations: Active
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Uses & manufacturing

UsesCIR ingredient: Lauryl Laurate

U.S. Production2023: 15 lb

Consumer UsesHeat transferring agent

Use Classification · 2 items

EPA Safer Chemical Functional Use Classes -> Emollients;Skin Conditioning Agents

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

General Manufacturing InformationDodecanoic acid, dodecyl ester: ACTIVE

Applications

UsesLauryl Laurate is a fugitive wax and is used in the creation of biomimetic self-healing materials with interpenetrating microvascular networks based on fugitive inks and epoxy systems.

Upstream & downstream products

Upstream raw materials

Downstream products

Dodecane Lauric acid

Suppliers67 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

山东泰诚生物科技有限公司18769832557 18769832557 · [email protected]

Additional notes

DefinitionChEBI: Dodecyl dodecanoate is a dodecanoate ester resulting from the formal condensation of the carboxy group of dodecanoic acid with the hydroxy group of dodecan-1-ol. It is functionally related to a dodecan-1-ol.

Related reactions

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Compound notes

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