2-HEPTANONE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H14O
Molecular Weight	114.1855
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-HEPTANONE

Structure Search

SMILES

CCCCCC(C)=O

InChI

InChIKey=CATSNJVOTSVZJV-UHFFFAOYSA-N

InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C7H14O
Molecular Weight	114.1855
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 `Fri Dec 15 17:16:23 UTC 2023` Edited by `admin` on `Fri Dec 15 17:16:23 UTC 2023`
Record UNII	89VVP1B008
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-HEPTANONE

Systematic Name

English

FEMA NO. 2544

Code

English

METHYL AMYL KETONE

Systematic Name

English

2-HEPTANONE [HSDB]

Common Name

English

HEPTAN-2-ONE

Systematic Name

English

NSC-7313

Code

English

2-HEPTANONE [FHFI]

Common Name

English

AMYL METHYL KETONE

Systematic Name

English

METHYL N-AMYL KETONE

Common Name

English

2-HEPTANONE [FCC]

Common Name

English

N-PENTYL METHYL KETONE

Common Name

English

N-AMYL METHYL KETONE

Common Name

English

BUTYLACETONE

Systematic Name

English

2-HEPTANONE [MI]

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

2-HEPTANONE

Created by admin on Fri Dec 15 17:16:23 UTC 2023 , Edited by admin on Fri Dec 15 17:16:23 UTC 2023

CFR

21 CFR 172.515

Created by admin on Fri Dec 15 17:16:23 UTC 2023 , Edited by admin on Fri Dec 15 17:16:23 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID5021916

Created by admin on Fri Dec 15 17:16:23 UTC 2023 , Edited by admin on Fri Dec 15 17:16:23 UTC 2023

PRIMARY

FDA UNII

89VVP1B008

Created by admin on Fri Dec 15 17:16:23 UTC 2023 , Edited by admin on Fri Dec 15 17:16:23 UTC 2023

PRIMARY

HSDB

1122

Created by admin on Fri Dec 15 17:16:23 UTC 2023 , Edited by admin on Fri Dec 15 17:16:23 UTC 2023

PRIMARY

MESH

C011917

Created by admin on Fri Dec 15 17:16:23 UTC 2023 , Edited by admin on Fri Dec 15 17:16:23 UTC 2023

PRIMARY

CHEBI

5672

Created by admin on Fri Dec 15 17:16:23 UTC 2023 , Edited by admin on Fri Dec 15 17:16:23 UTC 2023

PRIMARY

JECFA MONOGRAPH

411

Created by admin on Fri Dec 15 17:16:23 UTC 2023 , Edited by admin on Fri Dec 15 17:16:23 UTC 2023

PRIMARY

NSC

7313

Created by admin on Fri Dec 15 17:16:23 UTC 2023 , Edited by admin on Fri Dec 15 17:16:23 UTC 2023

PRIMARY

MERCK INDEX

m5968

Created by admin on Fri Dec 15 17:16:23 UTC 2023 , Edited by admin on Fri Dec 15 17:16:23 UTC 2023

PRIMARY

Merck Index

SMS_ID

300000017971

Created by admin on Fri Dec 15 17:16:23 UTC 2023 , Edited by admin on Fri Dec 15 17:16:23 UTC 2023

PRIMARY

CAS

110-43-0

Created by admin on Fri Dec 15 17:16:23 UTC 2023 , Edited by admin on Fri Dec 15 17:16:23 UTC 2023

PRIMARY

WIKIPEDIA

2-HEPTANONE

Created by admin on Fri Dec 15 17:16:23 UTC 2023 , Edited by admin on Fri Dec 15 17:16:23 UTC 2023

PRIMARY

ECHA (EC/EINECS)

203-767-1

Created by admin on Fri Dec 15 17:16:23 UTC 2023 , Edited by admin on Fri Dec 15 17:16:23 UTC 2023

PRIMARY

PUBCHEM

8051

Created by admin on Fri Dec 15 17:16:23 UTC 2023 , Edited by admin on Fri Dec 15 17:16:23 UTC 2023

PRIMARY

Related Record Type Details

578389D6D0

CLOVE OIL

PARENT -> CONSTITUENT ALWAYS PRESENT