3-Octylpentane-2,4-dione

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H24O2
Molecular Weight	212.3285
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Octylpentane-2,4-dione

Structure Search

SMILES

CCCCCCCCC(C(C)=O)C(C)=O

InChI

InChIKey=KOMWCCYRQJBJDF-UHFFFAOYSA-N

InChI=1S/C13H24O2/c1-4-5-6-7-8-9-10-13(11(2)14)12(3)15/h13H,4-10H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C13H24O2
Molecular Weight	212.3285
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 `Sat Dec 16 11:58:04 GMT 2023` Edited by `admin` on `Sat Dec 16 11:58:04 GMT 2023`
Record UNII	UXG55HL5SG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Octylpentane-2,4-dione

Systematic Name

English

2,4-Pentanedione, 3-octyl-

Systematic Name

English

3-Octyl-2,4-pentanedione

Systematic Name

English

Code System Code Type Description

PUBCHEM

83225

Created by admin on Sat Dec 16 11:58:04 GMT 2023 , Edited by admin on Sat Dec 16 11:58:04 GMT 2023

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ECHA (EC/EINECS)

236-158-4

Created by admin on Sat Dec 16 11:58:04 GMT 2023 , Edited by admin on Sat Dec 16 11:58:04 GMT 2023

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CAS

13195-73-8

Created by admin on Sat Dec 16 11:58:04 GMT 2023 , Edited by admin on Sat Dec 16 11:58:04 GMT 2023

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EPA CompTox

DTXSID70157277

Created by admin on Sat Dec 16 11:58:04 GMT 2023 , Edited by admin on Sat Dec 16 11:58:04 GMT 2023

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FDA UNII

UXG55HL5SG

Created by admin on Sat Dec 16 11:58:04 GMT 2023 , Edited by admin on Sat Dec 16 11:58:04 GMT 2023

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