3-methylbenzyl alcohol (Q27290322)

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chemical compound

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Language	Label	Description	Also known as
English	3-methylbenzyl alcohol	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

chemical structure

3-Methylbenzyl alcohol.svg
389 × 451; 6 KB

0 references

mass

122.073 dalton

1 reference

stated in

PubChem

PubChem CID

11476

language of work or name

English

title

3-METHYLBENZYL ALCOHOL (English)

retrieved

14 October 2016

chemical formula

C₈H₁₀O

1 reference

stated in

PubChem

PubChem CID

11476

language of work or name

English

title

3-METHYLBENZYL ALCOHOL (English)

retrieved

14 October 2016

canonical SMILES

CC1=CC(=CC=C1)CO

1 reference

stated in

PubChem

PubChem CID

11476

language of work or name

English

title

3-METHYLBENZYL ALCOHOL (English)

retrieved

14 October 2016

Identifiers

InChI

InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3

1 reference

stated in

PubChem

PubChem CID

11476

language of work or name

English

title

3-METHYLBENZYL ALCOHOL (English)

retrieved

14 October 2016

InChIKey

JJCKHVUTVOPLBV-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

11476

language of work or name

English

title

3-METHYLBENZYL ALCOHOL (English)

retrieved

14 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

587-03-1

2 references

stated in

Global Substance Registration System

UNII

TTG38P37U6

language of work or name

English

title

3-methylbenzyl alcohol (English)

retrieved

14 October 2016

InChIKey

JJCKHVUTVOPLBV-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

10 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=587-03-1

ChemSpider ID

10992

1 reference

stated in

ChemSpider

ChemSpider ID

10992

language of work or name

English

title

3-Methylbenzyl alcohol (English)

retrieved

14 October 2016

PubChem CID

11476

2 references

stated in

PubChem

PubChem CID

11476

language of work or name

English

title

3-METHYLBENZYL ALCOHOL (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

JJCKHVUTVOPLBV-UHFFFAOYSA-N

ChEBI ID

27995

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3

SureChEMBL ID

SCHEMBL10735

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

JJCKHVUTVOPLBV-UHFFFAOYSA-N

UniChem compound ID

1070960

1 reference

stated in

UniChem

SPLASH

splash10-0a4i-0900000000-13a044eb3659a0d1bc0b

0 references

NMRShiftDB structure ID

30102092

1 reference

matched by identifier from

InChIKey

InChIKey

JJCKHVUTVOPLBV-UHFFFAOYSA-N

DSSTox substance ID

DTXSID4039497

2 references

stated in

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

InChIKey

InChIKey

JJCKHVUTVOPLBV-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID2019497

0 references

NSC number

9397

0 references

EC number

209-595-3

1 reference

stated in

Global Substance Registration System

UNII

TTG38P37U6

language of work or name

English

title

3-methylbenzyl alcohol (English)

retrieved

14 October 2016

ECHA Substance Infocard ID

100.008.725

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.008.725

retrieved

27 December 2018

title

3-methylbenzyl alcohol (English)

quotation

CAS no.: 587-03-1 (English)

UM-BBD compound ID

c0241

0 references

UNII

TTG38P37U6

2 references

stated in

Global Substance Registration System

UNII

TTG38P37U6

language of work or name

English

title

3-methylbenzyl alcohol (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

JJCKHVUTVOPLBV-UHFFFAOYSA-N

PDB ligand ID

B74

0 references

 

Sitelinks

Wikipedia(1 entry)

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• dewiki 3-Methylbenzylalkohol

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