Trihexyl acetylcitrate

HCID 90617CAS 24817-92-3
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(C)=O)C(=O)OCCCCCC
InChIKey
TUUQISRYLMFKOG-UHFFFAOYSA-N
Molecular formula
C26H46O8
Average molar mass
486.6 g/mol
Monoisotopic mass
486.31926843

Overview

structure in first source

Names & identifiers

Preferred name
Trihexyl acetylcitrate
IUPAC
trihexyl 2-acetyloxypropane-1,2,3-tricarboxylate
English name
Trihexyl O-acetylcitrate
Molecular formula
C26H46O8
Molecular weight
486.64

Names & synonyms

24817-92-3Acetyl trihexyl citratetrihexyl acetylcitrateZ94E579Y3CDTXSID3051915RefChem:109076DTXCID8030477Trihexyl O-acetylcitrate1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, trihexyl estertrihexyl 2-acetyloxypropane-1,2,3-tricarboxylateacetyl tri-n-hexyl citrate1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-trihexyl ester
Show more names
ATHCCitroflex A6TrihexylacetylcitrateAcetyltri-n-hexylcitratTri-n-hexyl acetylcitrate3-O-Acetylcitric acid trihexyl estertrihexyl 2-acetoxypropane-1,2,3-tricarboxylate
UNII-Z94E579Y3Cacetyltrihexyl citrateCITROFLEX A 6tri-n-hexyl o-acetylcitrateSCHEMBL169210Trihexyl O-acetylcitrate; ATHCTUUQISRYLMFKOG-UHFFFAOYSA-N2-(Acetyloxy)-1,2,3-propanetricarboxylic acid, trihexyl ester

Database identifiers

CAS
24817-92-3
PubChem CID
90617
DTXSID
DTXSID3051915
UNII
Z94E579Y3C
EC Number
810-150-6
Nikkaji
J261.980F

Properties

Computed structural properties

XLogP
6.5
Topological polar surface area
105 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
25
Heavy atoms
34

Experimental & physicochemical properties

Cosmetics · 2 items

Cosmetic ingredients (Acetyl Trihexyl Citrate) -> CIR (Cosmetic Ingredient Review)

Plasticiser; Chelating; Antioxidant

Physical DescriptionWet Solid; Liquid

Physicochemical properties

Boiling point
497.7 · 497.7±40.0 °C(Predicted)
Density
1.005 g/mL · 1.005 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.447(lit.)
Flash point
230 °F · >230 °F
Cosmetics Ingredients Functions
SKIN CONDITIONINGSKIN CONDITIONING - EMOLLIENTANTIOXIDANTCHELATINGPLASTICISER
Cosmetic Ingredient Review (CIR)
Trihexyl O-acetylcitrate (24817-92-3)

Safety & regulation

Hazard information

Regulatory Information · 4 items

1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-trihexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-trihexyl 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

REACH registered substance: Trihexyl O-acetylcitrate (EC: 810-150-6)

1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, trihexyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

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
REACH Registrations
Inactive

Chemistry & industry

Uses & manufacturing

UsesCIR ingredient: Acetyl Trihexyl Citrate
U.S. Production2023: <75,000 lb
Industry UsesPlasticizer
Use ClassificationCosmetics -> Plasticiser; Chelating; Antioxidant
General Manufacturing Information · 2 items

Printing Ink Manufacturing

1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-trihexyl ester: ACTIVE

Suppliers36 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]

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