Basic information
- CAS
2277-23-8- Standard SMILES
CCCCCCCCCC(=O)OCC(O)CO- InChIKey
LKUNXBRZDFMZOK-UHFFFAOYSA-N- Molecular formula
- C13H26O4
- Average molar mass
- 246.34 g/mol
- Monoisotopic mass
- 246.18310931
Overview
1-monodecanoylglycerol is a 1-monoglyceride that has decanoyl (capryl) as the acyl group. It is a 1-monoglyceride and a monodecanoylglycerol.
Names & identifiers
- Preferred name
- 1-Decanoylglycerol
- IUPAC
- 2,3-dihydroxypropyl decanoate
- English name
- MONOCAPRIN
- Molecular formula
- C13H26O4
- Molecular weight
- 246.34
Names & synonyms
2277-23-8Glyceryl caprate1-Decanoyl-rac-glycerol1-decanoylglycerolMonodecanoinDecanoin, mono-Glyceryl 1-caprateGlyceryl-1-caprate197M6VFC1W1,2,3-PROPANETRIOL DECANOIC ACID MONOESTERRefChem:6634932,3-Dihydroxypropyl decanoate
Show more names
DECANOINalpha-Monocaprin50-60% ON ALPHA)Glycerin capratebeta-1-Monocaprin1-MONODECANOYL GLYCEROL
MONOCAPRIN26402-22-2Glyceryl monocaprateDecanoic acid, 2,3-dihydroxypropyl ester1-MonocaprinMONOCTANOIN COMPONENT BDecanoin, 1-mono-Decanoic acid monoglyceride
Database identifiers
- CAS
2277-23-8、26402-22-2- PubChem CID
- 92926
- DTXSID
DTXSID40891378- ChEMBL
CHEMBL1595008- ChEBI
CHEBI:75547- UNII
- 197M6VFC1W
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 182
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Glyceryl Caprate) -> CIR (Cosmetic Ingredient Review)
Emollient
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- 51.4 °C · 51.4 °C
- Boiling point
- 309.35 °C · 309.35°C (rough estimate)
- Density
- 0.974 · 0.9740 (rough estimate)
- refractive index
- 1.428 · 1.4280 (estimate)
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform: soluble
- form
- A liquid
- pka
- 13.16 · 13.16±0.20(Predicted)
- color
- White to off-white
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (6 of 6) of all reports.
Not Classified
Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: Decanoic acid, monoester with 1,2,3-propanetriol
Decanoic acid, monoester with 1,2,3-propanetriol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Decanoic acid, monoester with 1,2,3-propanetriol 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: Decanoic acid, monoester with glycerol (EC: 247-667-6)
Glyceryl monocaprate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Decanoic acid, monoester with 1,2,3-propanetriol: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safety data
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Glyceryl Caprate
U.S. Production2023: 20,438 lb
Consumer UsesEmulsifier
Industry UsesEmulsifier
Use ClassificationCosmetics -> Emollient
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Decanoic acid, monoester with 1,2,3-propanetriol: ACTIVE
Applications
Uses1-Decanoyl-rac-glycerol is a monoacylglyecrol with antibacterial activity. Studies show that 1-Decanoyl-rac-glycerol maybe potential apoptotic agents in T-cells.
Uses1-Decanoyl-rac-glycerol may be used as an analytical standard in determining the purity of the analyte synthesized from camphor tree seed kernel oil and glycerol using the lipase from porcine pancreas as a catalyst by gas chromatography technique.
General Description1-Decanoyl-rac-glycerol is a food additive, widely used as a functional emulsifier in food industry. It exhibits a broad-spectrum of activity against a variety of food-borne bacteria, fungi and viruses.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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