isobutyl phenylacetate (Q27255482)

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chemical compound

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Language	Label	Description	Also known as
English	isobutyl phenylacetate	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

mass

192.115±0 dalton

1 reference

stated in

PubChem

PubChem CID

60998

language of work or name

English

title

Isobutyl phenylacetate (English)

retrieved

14 October 2016

chemical formula

C₁₂H₁₆O₂

1 reference

stated in

PubChem

PubChem CID

60998

language of work or name

English

title

Isobutyl phenylacetate (English)

retrieved

14 October 2016

canonical SMILES

CC(C)COC(=O)CC1=CC=CC=C1

1 reference

stated in

PubChem

PubChem CID

60998

language of work or name

English

title

Isobutyl phenylacetate (English)

retrieved

14 October 2016

found in taxon

Mangifera indica

1 reference

stated in

Volatile components from mango (Mangifera indica L.) cultivars

Artemisia annua

1 reference

stated in

Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia

Identifiers

InChI

InChI=1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

1 reference

stated in

PubChem

PubChem CID

60998

language of work or name

English

title

Isobutyl phenylacetate (English)

retrieved

14 October 2016

InChIKey

RJASFPFZACBKBE-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

60998

language of work or name

English

title

Isobutyl phenylacetate (English)

retrieved

14 October 2016

CAS Registry Number

102-13-6

2 references

stated in

Global Substance Registration System

UNII

2QK898564G

language of work or name

English

title

isobutyl phenylacetate (English)

retrieved

14 October 2016

stated in

CAS Common Chemistry

retrieved

7 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=102-13-6

InChIKey

RJASFPFZACBKBE-UHFFFAOYSA-N

ChemSpider ID

54959

1 reference

stated in

ChemSpider

ChemSpider ID

54959

language of work or name

English

title

EGLANTINE (English)

retrieved

14 October 2016

PubChem CID

60998

2 references

stated in

PubChem

PubChem CID

60998

language of work or name

English

title

Isobutyl phenylacetate (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

RJASFPFZACBKBE-UHFFFAOYSA-N

ChEBI ID

179899

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

SureChEMBL ID

SCHEMBL769363

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

RJASFPFZACBKBE-UHFFFAOYSA-N

UniChem compound ID

5544779

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP006147

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP008848

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005217

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005317

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP008502

0 references

SPLASH

splash10-0006-9100000000-ace9dec3575724d71acf

0 references

splash10-052f-9000000000-ac191325e5762ab863eb

0 references

splash10-0006-9100000000-2ed3a29b195420794f5d

0 references

splash10-0006-9100000000-0292ab122c6decdbfa95

0 references

DSSTox substance ID

DTXSID6051512

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

RJASFPFZACBKBE-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID7030060

0 references

NSC number

6602

0 references

EC number

203-007-9

1 reference

stated in

Global Substance Registration System

UNII

2QK898564G

language of work or name

English

title

isobutyl phenylacetate (English)

retrieved

14 October 2016

ECHA Substance Infocard ID

100.002.735

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.002.735

retrieved

27 December 2018

title

Isobutyl phenylacetate (English)

quotation

CAS no.: 102-13-6 (English)

FL number

09.788

1 reference

quotation

CAS no.: 102-13-6 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.788

CosIng number

40348

1 reference

stated in

CosIng database

CosIng number

40348

retrieved

28 December 2019

title

ISOBUTYL PHENYLACETATE (English)

quotation

CAS no.: 102-13-6 (English)

Human Metabolome Database ID

HMDB0035010

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

RJASFPFZACBKBE-UHFFFAOYSA-N

KNApSAcK ID

C00058932

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

RJASFPFZACBKBE-UHFFFAOYSA-N

UNII

2QK898564G

2 references

stated in

Global Substance Registration System

UNII

2QK898564G

language of work or name

English

title

isobutyl phenylacetate (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

RJASFPFZACBKBE-UHFFFAOYSA-N

JECFA number

1013

1 reference

stated in

Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)

retrieved

13 May 2021

 

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Wiktionary(0 entries)

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