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Citric acid, 1-stearyl ester

HCID 11612014
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
1337-33-3
Standard SMILES
CCCCCCCCCCCCCCCCCCOC(=O)CC(O)(CC(=O)O)C(=O)O
InChIKey
REVZBRXEBPWDRA-UHFFFAOYSA-N
Molecular formula
C24H44O7
Average molar mass
444.6 g/mol
Monoisotopic mass
444.30870374

Overview

Stearyl citrate is a carbonyl compound.

Names & identifiers

Preferred name
Citric acid, 1-stearyl ester
IUPAC
2-hydroxy-2-(2-octadecoxy-2-oxoethyl)butanedioic acid
English name
STEARYL CITRATE
Molecular formula
C24H46O8
Molecular weight
462.62

Names & synonyms

Citric acid, 1-stearyl esterUNII-E945AJ51FAE945AJ51FA67939-31-51,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-octadecyl esterRefChem:200200Stearyl citrate2-hydroxy-2-[2-(octadecyloxy)-2-oxoethyl]butanedioic acid1-stearyl estercitric acidSCHEMBL42510DTXSID40862644CHEBI:168459
Show more names
stearylcitrateSTEARYL CITRATE MONOSTEARYL CITRATE, TECH.MONO-N-OCTADECYLCITRATECITRICACID,MONO-N-OCTADECYLESTER2-hydroxy-2-(2-octadecoxy-2-oxoethyl)butanedioate2,3-propanetricarboxylicacid,2-hydroxy-octadecylester1,2,3-Propanetricarboxylicacid,2-hydroxy-,octadecylester
FM74875NS00014125Q272770332-hydroxy-2-(2-octadecoxy-2-oxoethyl)butanedioic acid

Database identifiers

CAS
1337-33-3、67939-31-5

Properties

Computed structural properties

XLogP
7.1
Topological polar surface area
121 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
23
Heavy atoms
31
Formal charge
0
Complexity
492

Experimental & physicochemical properties

Cosmetics · 2 items

Cosmetic ingredients (Stearyl Citrate) -> CIR (Cosmetic Ingredient Review)

Skin conditioning; Emollient

Physicochemical properties

Cosmetics Ingredients Functions
SKIN CONDITIONING - EMOLLIENTSKIN CONDITIONING
LogP
8.598 · 8.598 (est)
SCOGS (Select Committee on GRAS Substances)
Stearyl citrate
Substances Added to Food (formerly EAFUS)
STEARYL CITRATE
FDA 21 CFR
184.1851 · 184.1851; 582.6851
FDA UNII
937 R1QR · YWW937R1QR
EPA Substance Registry System
1 · 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, octadecyl ester (1337-33-3)
WGK Germany
3 · 3
TSCA
TSCA listed

Safety & regulation

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

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

wgk
3
tsca
TSCA listed

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

UsesCIR ingredient: Stearyl Citrate
Use Classification · 2 items

Food Additives -> EMULSIFIER; SEQUESTRANT -> JECFA Functional Classes

Cosmetics -> Skin conditioning; Emollient

Applications · 1 item

UsesStearyl Citrate is an antioxidant made by reacting citric acid, which is not soluble in fats and oils, with stearyl alcohol, which readily dissolves in oils, thus enabling the citrate to dissolve in oil. It prevents metal ions from catalyzing oxidative reactions which cause rancidity. It is related to isopropyl citrate. It is used in vegetable oils and margarines.

Suppliers7 total

卓瑞宁(上海)科技有限公司18163338995 18163338995 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Henan Bao Enluo International TradeCo.,LTD+86-17331933971 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]
BOC Sciences

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
PubChem CID
11612014
DTXSID
DTXSID40862644
ChEBI
CHEBI:168459
UNII
E945AJ51FA
+1-631-485-4226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]