benzyl isovalerate (Q27269851)

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chemical compound

• benzyl isopentanoate

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Language	Label	Description	Also known as
English	benzyl isovalerate	chemical compound	benzyl isopentanoate

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

chemical structure

Benzyl isopentanoate.svg
323 × 146; 13 KB

0 references

mass

192.115±0 dalton

1 reference

stated in

PubChem

PubChem CID

7651

language of work or name

English

title

Benzyl 3-methylbutanoate (English)

retrieved

18 November 2016

chemical formula

C₁₂H₁₆O₂

1 reference

stated in

PubChem

PubChem CID

7651

language of work or name

English

title

Benzyl 3-methylbutanoate (English)

retrieved

18 November 2016

canonical SMILES

CC(C)CC(=O)OCC1=CC=CC=C1

1 reference

stated in

PubChem

PubChem CID

7651

language of work or name

English

title

Benzyl 3-methylbutanoate (English)

retrieved

18 November 2016

found in taxon

Artemisia judaica

1 reference

stated in

The Essential Oil of Artemisia judaica L. from the Sinai and Negev Deserts. Aromatic Plants of the Holy Land and the Sinai, Part II

Kunzea salina

1 reference

stated in

The Leaf Essential Oil ofAngasomyrtus salinaTrudgen & Keighery

Tanacetum parthenium

1 reference

stated in

The Essential Oil ofTanacetum parthenium (L.) Schultz-Bip.

Artemisia salsoloides

1 reference

stated in

Volatile constituents of the essential oil and of the absolute of artemisia salsoloides Willd. from Ladakh

Elsholtzia fruticosa

1 reference

stated in

Chemical Varieties of Essential Oils from Elsholtzia polystachya from Two Different Locations in India1

Achillea abrotanoides

1 reference

stated in

Volatile constituents of Achillea abrotanoides in relation to their infrageneric variation

Conyza incana

1 reference

stated in

Aromatic Plants of Saudi Arabia, Part 12 Essential Oil of Conyza Incana

Callitropsis nootkatensis

1 reference

stated in

The volatile oil of the leaves of chamaecyparis nootkatensis

Xanthocyparis nootkatensis

1 reference

stated in

The volatile oil of the leaves of chamaecyparis nootkatensis

Mangifera indica

1 reference

stated in

Volatile components from mango (Mangifera indica L.) cultivars

Artemisia annua

1 reference

stated in

Essential oils of petal, leaf and stem of the antimalarial plant Artemisia annua

Identifiers

InChI

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

1 reference

stated in

PubChem

PubChem CID

7651

language of work or name

English

title

Benzyl 3-methylbutanoate (English)

retrieved

18 November 2016

InChIKey

HVJKZICIMIWFCP-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

7651

language of work or name

English

title

Benzyl 3-methylbutanoate (English)

retrieved

18 November 2016

CAS Registry Number

103-38-8

2 references

stated in

Global Substance Registration System

UNII

87UKH01DMA

language of work or name

English

title

benzyl isovalerate (English)

retrieved

18 November 2016

InChIKey

HVJKZICIMIWFCP-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

10 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=103-38-8

ChemSpider ID

7368

1 reference

stated in

ChemSpider

ChemSpider ID

7368

language of work or name

English

title

Benzyl 3-methylbutanoate (English)

retrieved

18 November 2016

PubChem CID

7651

2 references

stated in

PubChem

PubChem CID

7651

language of work or name

English

title

Benzyl 3-methylbutanoate (English)

retrieved

18 November 2016

matched by identifier from

InChIKey

InChIKey

HVJKZICIMIWFCP-UHFFFAOYSA-N

ChEBI ID

179904

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

ChEMBL ID

CHEMBL3184059

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL3184059

language of work or name

English

title

CHEMBL3184059 (English)

retrieved

18 November 2016

SureChEMBL ID

SCHEMBL111390

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

HVJKZICIMIWFCP-UHFFFAOYSA-N

UniChem compound ID

12645459

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP007077

0 references

SPLASH

splash10-0006-9100000000-f2c708c08313abae60ff

0 references

DSSTox substance ID

DTXSID1047603

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

HVJKZICIMIWFCP-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID9027603

0 references

NSC number

46124

0 references

EC number

203-106-7

1 reference

stated in

Global Substance Registration System

UNII

87UKH01DMA

language of work or name

English

title

benzyl isovalerate (English)

retrieved

18 November 2016

ECHA Substance Infocard ID

100.002.824

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.002.824

retrieved

27 December 2018

title

Benzyl isovalerate (English)

quotation

CAS no.: 103-38-8 (English)

FL number

09.458

1 reference

quotation

CAS no.: 103-38-8 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.458

CosIng number

39229

1 reference

stated in

CosIng database

CosIng number

39229

retrieved

28 December 2019

title

BENZYL ISOVALERATE (English)

quotation

CAS no.: 103-38-8 (English)

Human Metabolome Database ID

HMDB0032043

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

HVJKZICIMIWFCP-UHFFFAOYSA-N

KNApSAcK ID

C00058957

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

HVJKZICIMIWFCP-UHFFFAOYSA-N

UNII

87UKH01DMA

2 references

stated in

Global Substance Registration System

UNII

87UKH01DMA

language of work or name

English

title

benzyl isovalerate (English)

retrieved

18 November 2016

matched by identifier from

InChIKey

InChIKey

HVJKZICIMIWFCP-UHFFFAOYSA-N

JECFA number

845

1 reference

stated in

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

retrieved

13 May 2021

 

Sitelinks

Wikipedia(1 entry)

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• eowiki Benzila izovalerato

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Wikiquote(0 entries)

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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Multilingual sites(0 entries)

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