PELARGONIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H18O2
Molecular Weight	158.238
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PELARGONIC ACID

Structure Search

SMILES

CCCCCCCCC(O)=O

InChI

InChIKey=FBUKVWPVBMHYJY-UHFFFAOYSA-N

InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula	C9H18O2
Molecular Weight	158.238
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 20:16:57 UTC 2023` Edited by `admin` on `Sat Dec 16 20:16:57 UTC 2023`
Record UNII	97SEH7577T
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PELARGONIC ACID

Official Name

English

PELARGONIC ACID [MI]

Common Name

English

NONOIC ACID

Common Name

English

NONANOIC ACID

Systematic Name

English

FEMA NO. 2784

Code

English

NONANOIC ACID [FCC]

Common Name

English

PELARGONIC ACID [INCI]

Common Name

English

NSC-62787

Code

English

GRANTRICO

Common Name

English

NSC-65450

Code

English

NONANOIC ACID [HSDB]

Common Name

English

THINEX

Common Name

English

NSC-65455

Code

English

1-OCTANECARBOXYLIC ACID

Systematic Name

English

NONYLIC ACID

Common Name

English

NONANOIC ACID [FHFI]

Common Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

217500

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

CFR

21 CFR 172.515

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

NCI_THESAURUS

C541

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

JECFA EVALUATION

NONANOIC ACID

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID3021641

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

PRIMARY

FDA UNII

97SEH7577T

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

PRIMARY

ALANWOOD

pelargonic acid

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

PRIMARY

PUBCHEM

8158

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

PRIMARY

JECFA MONOGRAPH

272

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

PRIMARY

CHEBI

32361

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

PRIMARY

DAILYMED

97SEH7577T

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

PRIMARY

HSDB

5554

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

PRIMARY

CAS

112-05-0

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

PRIMARY

RXCUI

2054105

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

PRIMARY

MERCK INDEX

m8449

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

PRIMARY

Merck Index

NSC

65450

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

PRIMARY

CHEBI

29019

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

PRIMARY

NSC

65455

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

PRIMARY

NCI_THESAURUS

C82932

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

PRIMARY

NSC

62787

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

PRIMARY

WIKIPEDIA

NONANOIC ACID

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

PRIMARY

ECHA (EC/EINECS)

203-931-2

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

PRIMARY

RXCUI

2054104

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

ALTERNATIVE

MESH

C008776

Created by admin on Sat Dec 16 20:16:57 UTC 2023 , Edited by admin on Sat Dec 16 20:16:57 UTC 2023

PRIMARY

Related Record Type Details


					6MTE8G7YLD

ZINC PELARGONATE

SALT/SOLVATE -> PARENT


					3IXW0F6P8W

ELYMUS REPENS ROOT

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Compound measured as 1.80% of the composition of the steam distillate of Elymus repens rhizome as per R Boesel in Planta Medica iss:4 pg:399-400, 1989.

Related Record Type Details


					97SEH7577T

PELARGONIC ACID

ACTIVE MOIETY