trihexyl citrate

Q: What is the CAS number of trihexyl citrate?

The CAS registry number of trihexyl citrate is 82469-79-2.

Q: What is the molecular formula and molecular weight of trihexyl citrate?

Molecular formula C28H50O8, molecular weight 514.7.

Q: What other names is trihexyl citrate known by?

It is also registered under: trihexyl citrate, trihexyl O-butyrylcitrate.

Q: What are the documented applications of trihexyl citrate?

Recorded applications: Use Classification: Plastics -> Polymer Type -> N.a., Plastics -> Plasticisers, Cosmetics -> Emollient, Industry Uses: Plasticizer, U.S. Production: 2023: 50, 000 - <250, 000 lb, 2022: <50, 2021: 50, 2020: <50, General Manufacturing Information: Plastics Material and Resin Manufacturing, 1, 2, 3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 3-trihexyl ester: ACTIVE.

CAS 82469-79-2C28H50O8MW 514.7

trihexyl citrate (CAS 82469-79-2) — formula C28H50O8, molecular weight 514.7; category organic chemicals.

Specifications

CAS Number82469-79-2

Molecular FormulaC28H50O8

Molecular Weight514.7

LogP7.4

ApplicationsUse Classification: Plastics -> Polymer Type -> N.a., Plastics -> Plasticisers, Cosmetics -> Emollient, Industry Uses: Plasticizer, U.S. Production: 2023: 50, 000 - <250, 000 lb, 2022: <50, 2021: 50, 2020: <50, General Manufacturing Information: Plastics Material and Resin Manufacturing, 1, 2, 3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 3-trihexyl ester: ACTIVE

CategoryOrganic Chemicals

Where it is used

Documented applications: Use Classification: Plastics -> Polymer Type -> N.a., Plastics -> Plasticisers, Cosmetics -> Emollient, Industry Uses: Plasticizer, U.S. Production: 2023: 50, 000 - <250, 000 lb, 2022: <50, 2021: 50, 2020: <50, General Manufacturing Information: Plastics Material and Resin Manufacturing, 1, 2, 3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 3-trihexyl ester: ACTIVE.

Purchase Profile

What this product is

trihexyl citrate is a carbon-based organic compound with CAS registry number 82469-79-2 and molecular formula C28H50O8 (molecular weight 514.7), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 82469-79-2

Its molecular formula C28H50O8 comprises 28 C, 50 H, 8 O atoms.

Also known as: trihexyl citrate · trihexyl O-butyrylcitrate

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of trihexyl citrate?

The CAS registry number of trihexyl citrate is 82469-79-2.

What is the molecular formula and molecular weight of trihexyl citrate?

Molecular formula C28H50O8, molecular weight 514.7.

What other names is trihexyl citrate known by?

It is also registered under: trihexyl citrate, trihexyl O-butyrylcitrate.

What are the documented applications of trihexyl citrate?

Recorded applications: Use Classification: Plastics -> Polymer Type -> N.a., Plastics -> Plasticisers, Cosmetics -> Emollient, Industry Uses: Plasticizer, U.S. Production: 2023: 50, 000 - <250, 000 lb, 2022: <50, 2021: 50, 2020: <50, General Manufacturing Information: Plastics Material and Resin Manufacturing, 1, 2, 3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 3-trihexyl ester: ACTIVE.

Which category does trihexyl citrate belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for trihexyl citrate (CAS 82469-79-2), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary	94.7% (36 / 38)
Reported hazard statements	H400 (50%), H410 (100%)

This chemical does not meet GHS hazard criteria for 94.7% (36 of 38) of all reports.

Reported as not meeting GHS hazard criteria by 36 of 38 companies (only 5.3% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Regulatory listings

GHS notification summary	94.7% (36 / 38)

Physical description and handling notes

Liquid
245.5 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0047535]

Reported physical properties

Collision Cross Section	240.45 Å² [M+H]+
Collision Cross Section	245.25 Å² [M+Na]+
Collision Cross Section	348.02 Å² [2M+Na]+

How this substance is indexed

CAS Registry Number	82469-79-2
PubChem CID	133914
分子式	C28H50O8
IUPAC 名称	trihexyl 2-butanoyloxypropane-1,2,3-tricarboxylate
UNII（FDA）	M4974DI70C

Documented uses

Plastics -> Polymer Type -> N.a.
Plastics Material and Resin Manufacturing
1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 1,2,3-trihexyl ester: ACTIVE

Names this substance appears under

82469-79-2; Butyryl trihexyl citrate; Butyryl-n-trihexylcitrate; BTHC; DTXSID0047535; M4974DI70C; Butyl-n-trihexyl-citrate; CITROFLEX B 6; DTXCID8027535; 1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, 1,2,3-trihexyl ester; 413-890-4; RefChem:571909; Trihexyl O-butyrylcitrate; trihexyl 2-butanoyloxypropane-1,2,3-tricarboxylate; n-butyltri-n-hexyl citrate; 1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, trihexyl ester

Computed molecular descriptors

分子量	514.7
XLogP3	7.4
氢键供体数	0
氢键受体数	8
可旋转键数	27
精确质量	514.35056855
单同位素质量	514.35056855
拓扑极性表面积	105
重原子数	36
形式电荷	0

Database abstract

trihexyl citrate · CAS 82469-79-2 · C28H50O8. UNII M4974DI70C. Collision Cross Section: 240.45 Å² [M+H]+; Collision Cross Section: 245.25 Å² [M+Na]+; Collision Cross Section: 348.02 Å² [2M+Na]+.

Source: PubChem / Wikidata; the batch COA governs where values differ.

You may also need

2,6-DimethoxyphenolCAS 91-10-1›

Methyl phenethyl etherCAS 3558-60-9›

RotundoneCAS 14765-30-1›

Ammonium bromideCAS 12124-97-9›

Acetylsalicylic acidCAS 50-78-2›

Aluminium stearateCAS 637-12-7›

Acetic acid,sodium salt trihydrateCAS 6131-90-4›

Albuterol sulfateCAS 51022-70-9›

Get a quote for trihexyl citrate

Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.

Email Inquiry WhatsApp