2-METHYL-3-HEPTANONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H16O
Molecular Weight	128.212
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-METHYL-3-HEPTANONE

Structure Search

SMILES

CCCCC(=O)C(C)C

InChI

InChIKey=XYYMFUCZDNNGFS-UHFFFAOYSA-N

InChI=1S/C8H16O/c1-4-5-6-8(9)7(2)3/h7H,4-6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C8H16O
Molecular Weight	128.212
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 `Mon Mar 31 19:32:49 GMT 2025` Edited by `admin` on `Mon Mar 31 19:32:49 GMT 2025`
Record UNII	CH4JHS76WY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-METHYLHEPTAN-3-ONE

Preferred Name

English

2-METHYL-3-HEPTANONE

Systematic Name

English

2-METHYLHEPTAN-3-ONE [FHFI]

Common Name

English

2-METHYLBUTYL ISOPROPYL KETONE

Systematic Name

English

NSC-21978

Code

English

FEMA NO. 4000

Code

English

Classification Tree Code System Code

JECFA EVALUATION

2-METHYLHEPTAN-3-ONE

Created by admin on Mon Mar 31 19:32:49 GMT 2025 , Edited by admin on Mon Mar 31 19:32:49 GMT 2025

Code System Code Type Description

FDA UNII

CH4JHS76WY

Created by admin on Mon Mar 31 19:32:49 GMT 2025 , Edited by admin on Mon Mar 31 19:32:49 GMT 2025

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CAS

13019-20-0

Created by admin on Mon Mar 31 19:32:49 GMT 2025 , Edited by admin on Mon Mar 31 19:32:49 GMT 2025

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ECHA (EC/EINECS)

235-877-0

Created by admin on Mon Mar 31 19:32:49 GMT 2025 , Edited by admin on Mon Mar 31 19:32:49 GMT 2025

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EPA CompTox

DTXSID3073395

Created by admin on Mon Mar 31 19:32:49 GMT 2025 , Edited by admin on Mon Mar 31 19:32:49 GMT 2025

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NSC

21978

Created by admin on Mon Mar 31 19:32:49 GMT 2025 , Edited by admin on Mon Mar 31 19:32:49 GMT 2025

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JECFA MONOGRAPH

1088

Created by admin on Mon Mar 31 19:32:49 GMT 2025 , Edited by admin on Mon Mar 31 19:32:49 GMT 2025

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PUBCHEM

25611

Created by admin on Mon Mar 31 19:32:49 GMT 2025 , Edited by admin on Mon Mar 31 19:32:49 GMT 2025

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