Basic information
- CAS
39413-05-3- Standard SMILES
CC(=O)CC(O)(CC(=O)O)C(=O)O.CC(C)O- InChIKey
XBLJCYOUYPSETL-UHFFFAOYSA-N- Molecular formula
- C10H18O7
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.10525291
Overview
Isopropyl citrate is an oxo carboxylic acid.
Names & identifiers
- Preferred name
- Isopropyl Citrate
- IUPAC
- 2-hydroxy-2-(2-oxopropyl)butanedioic acid;propan-2-ol
- English name
- Citric acid isopropyl ester
- Molecular formula
- C9H16O8
- Molecular weight
- 252.22
Names & synonyms
Isopropyl citrateCCRIS 3655LI8054GLDY1-Methylethyl 2-hydroxy-1,2,3-propanetricarboxylate1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-methylethyl ester1,2,3-Propanetricarboxylic acid, 2-hydroxy-, mono(2-methylpropyl) esterRefChem:792164ISOPROPYL CITRATE [INCI]1,2,3-Propanetricarboxylic acid, 2-hydroxy-, mono(2-methylpropyl) ester (9CI)39413-05-3Citric acid, isopropyl ester2-hydroxy-2-(2-oxopropyl)butanedioic acid;propan-2-ol
Show more names
MONOISOPROPYLCITRATEIsopropyl Citrate CitricacidisoprpylesterIsopropyi citrate mixtureCitric acid isopropyl esterIsopropyl Citrate (mixture)>Citricacidisopropylester(mixture)2-acetonyl-2-hydroxy-succinic acidCITRIC ACID ISOPROPYL ESTER USP/EP/BP
UNII-LI8054GLDYCHEBI:172491XBLJCYOUYPSETL-UHFFFAOYSA-NPBA41305NS00128709D89344
Properties
Computed structural properties
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Isopropyl Citrate) -> CIR (Cosmetic Ingredient Review)
Plasticiser
Food AdditivesSEQUESTRANT -> FDA Substance added to food
Physicochemical properties
- form
- liquid
- color
- White to Light yellow
- Cosmetics Ingredients Functions
- PLASTICISERSOLVENT
- Cosmetic Ingredient Review (CIR)
- CITRIC ACID ISOPROPYL ESTER (39413-05-3)
- LogP
- -0.268 · -0.268 (est)
- SCOGS (Select Committee on GRAS Substances)
- Isopropyl citrate
- Substances Added to Food (formerly EAFUS)
- ISOPROPYL CITRATE
- FDA 21 CFR
- 175.3 · 175.300; 181.27; 184.1386;582.6386; 582.6511
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8054 GLDY · LI8054GLDY
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
- rtecs
- GE7700000
- hs_code
- 2918.15.5000
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Isopropyl Citrate
Use Classification
Food Additives -> ANTIOXIDANT; SEQUESTRANT -> JECFA Functional Classes
Cosmetics -> Plasticiser
Applications
DescriptionThe composition of commercially available isopropyl citrate is 65 to 80 percent monoisopropyl, 15 to 30 percent diisopropyl, and 5 to 10 percent triisopropyl citrate.
UsesMonoisopropyl Citrate is a sequestrant used in fats and oils.
UsesIsopropyl Citrate (Mixture) is an antioxidant that reacts with metal ions that might catalyze oxidative reactions and thus will prevent rancidity. It is made by reacting citric acid (not soluble in fats and oils) with isopropyl alcohol (which readily dissolves in oil) and thus enables the citrate to dissolve in oil. It is used in vegetable oils.
UsesFood additive.
Upstream & downstream products
Upstream raw materials
Suppliers29 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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