Phenol, 2-octyl- (Q81989420)

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chemical compound

• o-octylphenol

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Language	Label	Description	Also known as
English	Phenol, 2-octyl-	chemical compound	o-octylphenol

Statements

instance of

type of chemical entity

0 references

subclass of

biogenic alkylphenol

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chemical structure

2-Octylphenol.svg
129 × 90; 18 KB

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mass

206.167065324 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₄H₂₂O

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canonical SMILES

CCCCCCCCC1=CC=CC=C1O

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found in taxon

Ligusticum chuanxiong

1 reference

stated in

Analysis of the chemical composition, acute toxicity and skin sensitivity of essential oil from rhizomes of Ligusticum chuanxiong

Conioselinum anthriscoides

1 reference

stated in

Analysis of the chemical composition, acute toxicity and skin sensitivity of essential oil from rhizomes of Ligusticum chuanxiong

Ligusticum striatum

1 reference

stated in

Analysis of the chemical composition, acute toxicity and skin sensitivity of essential oil from rhizomes of Ligusticum chuanxiong

Identifiers

InChI

InChI=1S/C14H22O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h8-9,11-12,15H,2-7,10H2,1H3

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InChIKey

DUIOKRXOKLLURE-UHFFFAOYSA-N

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CAS Registry Number

949-13-3

1 reference

InChIKey

DUIOKRXOKLLURE-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=949-13-3

PubChem CID

13700

1 reference

matched by identifier from

InChIKey

InChIKey

DUIOKRXOKLLURE-UHFFFAOYSA-N

SureChEMBL ID

SCHEMBL18808

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

DUIOKRXOKLLURE-UHFFFAOYSA-N

UniChem compound ID

24874077

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID3061344

1 reference

matched by identifier from

InChIKey

InChIKey

DUIOKRXOKLLURE-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID3048942

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EC number

213-437-9

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ECHA Substance Infocard ID

100.012.216

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Human Metabolome Database ID

HMDB0255918

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

DUIOKRXOKLLURE-UHFFFAOYSA-N

 

Sitelinks

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