2-ETHYL-5-OXOHEXYL PHTHALATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H20O5
Molecular Weight	292.327
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-ETHYL-5-OXOHEXYL PHTHALATE

Structure Search

SMILES

CCC(CCC(C)=O)COC(=O)C1=C(C=CC=C1)C(O)=O

InChI

InChIKey=HCWNFKHKKHNSSL-UHFFFAOYSA-N

InChI=1S/C16H20O5/c1-3-12(9-8-11(2)17)10-21-16(20)14-7-5-4-6-13(14)15(18)19/h4-7,12H,3,8-10H2,1-2H3,(H,18,19)

HIDE SMILES / InChI

Molecular Formula	C16H20O5
Molecular Weight	292.327
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:38:05 GMT 2025` Edited by `admin` on `Mon Mar 31 22:38:05 GMT 2025`
Record UNII	7J8J8977X9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,2-BENZENEDICARBOXYLIC ACID, 1-(2-ETHYL-5-OXOHEXYL) ESTER

Preferred Name

English

2-ETHYL-5-OXOHEXYL PHTHALATE

Systematic Name

English

MONO(2-ETHYL-5-OXOHEXYL)PHTHALATE

Systematic Name

English

Code System Code Type Description

CAS

40321-98-0

Created by admin on Mon Mar 31 22:38:05 GMT 2025 , Edited by admin on Mon Mar 31 22:38:05 GMT 2025

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EPA CompTox

DTXSID00865994

Created by admin on Mon Mar 31 22:38:05 GMT 2025 , Edited by admin on Mon Mar 31 22:38:05 GMT 2025

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PUBCHEM

119096

Created by admin on Mon Mar 31 22:38:05 GMT 2025 , Edited by admin on Mon Mar 31 22:38:05 GMT 2025

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FDA UNII

7J8J8977X9

Created by admin on Mon Mar 31 22:38:05 GMT 2025 , Edited by admin on Mon Mar 31 22:38:05 GMT 2025

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SMS_ID

300000052925

Created by admin on Mon Mar 31 22:38:05 GMT 2025 , Edited by admin on Mon Mar 31 22:38:05 GMT 2025

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