(Q63398062)

English

4'-Ethylacetophenone

chemical compound

p-Ethylacetophenone
1-(4-Ethylphenyl)ethanone

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

148.088815004 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₀H₁₂O

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canonical SMILES

CCC1=CC=C(C=C1)C(=O)C

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found in taxon

Gossypium hirsutum

1 reference

stated in

Survey of the volatile constituents of cotton lint and waste with regard to byssinosis

Camellia sinensis

1 reference

stated in

New volatile constituents of black tea aroma

Identifiers

InChI

InChI=1S/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3

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InChIKey

NODGRWCMFMEGJH-UHFFFAOYSA-N

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CAS Registry Number

937-30-4

1 reference

InChIKey

NODGRWCMFMEGJH-UHFFFAOYSA-N

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=937-30-4

PubChem CID

13642

1 reference

matched by identifier from

InChIKey

NODGRWCMFMEGJH-UHFFFAOYSA-N

ChEBI ID

195891

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3

SureChEMBL ID

SCHEMBL334751

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NODGRWCMFMEGJH-UHFFFAOYSA-N

1 reference

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP009603

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MSBNK-Fac_Eng_Univ_Tokyo-JP007146

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DSSTox substance ID

DTXSID5061326

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stated in

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

matched by identifier from

InChIKey

NODGRWCMFMEGJH-UHFFFAOYSA-N

DSSTOX compound identifier

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213-326-5

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ECHA Substance Infocard ID

100.012.114

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stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.012.114

retrieved

29 December 2019

title

4-ethylacetophenone (English)

quotation

CAS no.: 937-30-4 (English)

1 reference

28 December 2019

4-ETHYLACETOPHENONE (English)

quotation

CAS no.: 937-30-4 (English)

AICS Chemical ID (BEING DELETED)

5916

0 references

Human Metabolome Database ID

HMDB0059845

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NODGRWCMFMEGJH-UHFFFAOYSA-N

UNII

LSA7B53YDO

1 reference

matched by identifier from

InChIKey

NODGRWCMFMEGJH-UHFFFAOYSA-N

(Q63398062)

4'-Ethylacetophenone

Statements

Identifiers

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