AMYLMETACRESOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H18O
Molecular Weight	178.2707
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of AMYLMETACRESOL

Structure Search

SMILES

CCCCCC1=C(O)C=C(C)C=C1

InChI

InChIKey=CKGWFZQGEQJZIL-UHFFFAOYSA-N

InChI=1S/C12H18O/c1-3-4-5-6-11-8-7-10(2)9-12(11)13/h7-9,13H,3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H18O
Molecular Weight	178.2707
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 15:06:40 UTC 2023` Edited by `admin` on `Fri Dec 15 15:06:40 UTC 2023`
Record UNII	05W904P57F
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

AMYLMETACRESOL

Official Name

English

AMYL METACRESOL [VANDF]

Common Name

English

6-PENTYL-M-CRESOL

Systematic Name

English

PHENOL, 5-METHYL-2-PENTYL-

Systematic Name

English

Amylmetacresol [WHO-DD]

Common Name

English

AMYLMETACRESOL [EP IMPURITY]

Common Name

English

amylmetacresol [INN]

Common Name

English

AMYLMETACRESOL [VANDF]

Common Name

English

AMYL METACRESOL

Systematic Name

English

AMYLMETACRESOL [EP MONOGRAPH]

Common Name

English

6-N-AMYL-M-CRESOL [MI]

Common Name

English

5-METHYL-2-PENTYLPHENOL

Systematic Name

English

AMYLMETACRESOL [MART.]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C28394

Created by admin on Fri Dec 15 15:06:41 UTC 2023 , Edited by admin on Fri Dec 15 15:06:41 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C80846

Created by admin on Fri Dec 15 15:06:41 UTC 2023 , Edited by admin on Fri Dec 15 15:06:41 UTC 2023

PRIMARY

FDA UNII

05W904P57F

Created by admin on Fri Dec 15 15:06:41 UTC 2023 , Edited by admin on Fri Dec 15 15:06:41 UTC 2023

PRIMARY

CHEBI

48213

Created by admin on Fri Dec 15 15:06:41 UTC 2023 , Edited by admin on Fri Dec 15 15:06:41 UTC 2023

PRIMARY

CAS

1300-94-3

Created by admin on Fri Dec 15 15:06:41 UTC 2023 , Edited by admin on Fri Dec 15 15:06:41 UTC 2023

PRIMARY

PUBCHEM

14759

Created by admin on Fri Dec 15 15:06:41 UTC 2023 , Edited by admin on Fri Dec 15 15:06:41 UTC 2023

PRIMARY

MESH

C542912

Created by admin on Fri Dec 15 15:06:41 UTC 2023 , Edited by admin on Fri Dec 15 15:06:41 UTC 2023

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RXCUI

236248

Created by admin on Fri Dec 15 15:06:41 UTC 2023 , Edited by admin on Fri Dec 15 15:06:41 UTC 2023

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RxNorm

EVMPD

SUB05497MIG

Created by admin on Fri Dec 15 15:06:41 UTC 2023 , Edited by admin on Fri Dec 15 15:06:41 UTC 2023

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ChEMBL

CHEMBL1512677

Created by admin on Fri Dec 15 15:06:41 UTC 2023 , Edited by admin on Fri Dec 15 15:06:41 UTC 2023

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ECHA (EC/EINECS)

215-094-0

Created by admin on Fri Dec 15 15:06:41 UTC 2023 , Edited by admin on Fri Dec 15 15:06:41 UTC 2023

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CAS

53043-14-4

Created by admin on Fri Dec 15 15:06:41 UTC 2023 , Edited by admin on Fri Dec 15 15:06:41 UTC 2023

SUPERSEDED

MERCK INDEX

m561

Created by admin on Fri Dec 15 15:06:41 UTC 2023 , Edited by admin on Fri Dec 15 15:06:41 UTC 2023

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Merck Index

INN

5915

Created by admin on Fri Dec 15 15:06:41 UTC 2023 , Edited by admin on Fri Dec 15 15:06:41 UTC 2023

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EPA CompTox

DTXSID8046791

Created by admin on Fri Dec 15 15:06:41 UTC 2023 , Edited by admin on Fri Dec 15 15:06:41 UTC 2023

PRIMARY

SMS_ID

100000086938

Created by admin on Fri Dec 15 15:06:41 UTC 2023 , Edited by admin on Fri Dec 15 15:06:41 UTC 2023

PRIMARY

WIKIPEDIA

Amylmetacresol

Created by admin on Fri Dec 15 15:06:41 UTC 2023 , Edited by admin on Fri Dec 15 15:06:41 UTC 2023

PRIMARY

DRUG BANK

DB13908

Created by admin on Fri Dec 15 15:06:41 UTC 2023 , Edited by admin on Fri Dec 15 15:06:41 UTC 2023

PRIMARY

Related Record Type Details


					M6D5M72XHJ

5-METHYL-2-PENTYLCYCLOHEXANONE

IMPURITY -> PARENT

Comments:

impurities G (sum of the 2 diastereoisomers)

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					JPT2OXN70I

P-CRESYL VALERATE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					GGO4Y809LO

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					94JSD580ZD

M-CRESYL VALERATE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					1MXY2UM8NV

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					R8Z3BW3BUG

1-(2-HYDROXY-4-METHYLPHENYL)-1-PENTANONE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					NSJ014E72Q

1-(2-HYDROXY-5-METHYLPHENYL)-1-PENTANONE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					ZZ4PDY5WQT

4-METHYL-2-PENTYLPHENOL

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					95R258T4P6

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					7FX8BO0C35

5-METHYL-2-((2RS)-2-METHYLBUTYL)PHENOL

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:

Related Record Type Details


					05W904P57F

ACTIVE MOIETY