Trihexyl phosphate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H39O4P
Molecular Weight	350.4736
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Trihexyl phosphate

Structure Search

SMILES

CCCCCCOP(=O)(OCCCCCC)OCCCCCC

InChI

InChIKey=SFENPMLASUEABX-UHFFFAOYSA-N

InChI=1S/C18H39O4P/c1-4-7-10-13-16-20-23(19,21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C18H39O4P
Molecular Weight	350.4736
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 18:59:29 GMT 2025` Edited by `admin` on `Tue Apr 01 18:59:29 GMT 2025`
Record UNII	HN844S3C6X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Trihexyl phosphate

Systematic Name

English

Phosphoric acid, trihexyl ester

Preferred Name

English

Tri(n-hexyl) phosphate

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID1074597

Created by admin on Tue Apr 01 18:59:29 GMT 2025 , Edited by admin on Tue Apr 01 18:59:29 GMT 2025

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ECHA (EC/EINECS)

219-774-8

Created by admin on Tue Apr 01 18:59:29 GMT 2025 , Edited by admin on Tue Apr 01 18:59:29 GMT 2025

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PUBCHEM

75666

Created by admin on Tue Apr 01 18:59:29 GMT 2025 , Edited by admin on Tue Apr 01 18:59:29 GMT 2025

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FDA UNII

HN844S3C6X

Created by admin on Tue Apr 01 18:59:29 GMT 2025 , Edited by admin on Tue Apr 01 18:59:29 GMT 2025

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CAS

2528-39-4

Created by admin on Tue Apr 01 18:59:29 GMT 2025 , Edited by admin on Tue Apr 01 18:59:29 GMT 2025

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