ISOBUTYLPARABEN

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H14O3
Molecular Weight	194.2271
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISOBUTYLPARABEN

Structure Search

SMILES

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

InChI

InChIKey=XPJVKCRENWUEJH-UHFFFAOYSA-N

InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C11H14O3
Molecular Weight	194.2271
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 15:13:12 UTC 2023` Edited by `admin` on `Fri Dec 15 15:13:12 UTC 2023`
Record UNII	0QQJ25X58G
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ISOBUTYLPARABEN

Official Name

English

ISOBUTYL 4-HYDROXYBENZOATE

Systematic Name

English

ISOBUTYLPARABEN [INCI]

Common Name

English

ISOBUTYL PARABEN

Common Name

English

ISOBUTYL P-HYDROXYBENZOATE

Common Name

English

ISOBUTYL PARAHYDROXYBENZOATE

Systematic Name

English

BENZOIC ACID, P-HYDROXY-, ISOBUTYL ESTER

Common Name

English

BENZOIC ACID, 4-HYDROXY-, 2-METHYLPROPYL ESTER

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C92608

Created by admin on Fri Dec 15 15:13:12 UTC 2023 , Edited by admin on Fri Dec 15 15:13:12 UTC 2023

Code System Code Type Description

FDA UNII

0QQJ25X58G

Created by admin on Fri Dec 15 15:13:12 UTC 2023 , Edited by admin on Fri Dec 15 15:13:12 UTC 2023

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PUBCHEM

20240

Created by admin on Fri Dec 15 15:13:12 UTC 2023 , Edited by admin on Fri Dec 15 15:13:12 UTC 2023

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DAILYMED

0QQJ25X58G

Created by admin on Fri Dec 15 15:13:12 UTC 2023 , Edited by admin on Fri Dec 15 15:13:12 UTC 2023

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EPA CompTox

DTXSID4020749

Created by admin on Fri Dec 15 15:13:12 UTC 2023 , Edited by admin on Fri Dec 15 15:13:12 UTC 2023

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CAS

4247-02-3

Created by admin on Fri Dec 15 15:13:12 UTC 2023 , Edited by admin on Fri Dec 15 15:13:12 UTC 2023

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NCI_THESAURUS

C92610

Created by admin on Fri Dec 15 15:13:12 UTC 2023 , Edited by admin on Fri Dec 15 15:13:12 UTC 2023

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SMS_ID

100000128931

Created by admin on Fri Dec 15 15:13:12 UTC 2023 , Edited by admin on Fri Dec 15 15:13:12 UTC 2023

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ECHA (EC/EINECS)

224-208-8

Created by admin on Fri Dec 15 15:13:12 UTC 2023 , Edited by admin on Fri Dec 15 15:13:12 UTC 2023

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RXCUI

1364296

Created by admin on Fri Dec 15 15:13:12 UTC 2023 , Edited by admin on Fri Dec 15 15:13:12 UTC 2023

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RxNorm

EVMPD

SUB36797

Created by admin on Fri Dec 15 15:13:12 UTC 2023 , Edited by admin on Fri Dec 15 15:13:12 UTC 2023

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MESH

C471067

Created by admin on Fri Dec 15 15:13:12 UTC 2023 , Edited by admin on Fri Dec 15 15:13:12 UTC 2023

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