(RS)-linalyl benzoate (Q27254478)

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pair of enantiomers

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Language	Label	Description	Also known as
English	(RS)-linalyl benzoate	pair of enantiomers

Statements

instance of

group of stereoisomers

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subclass of

benzoic acid ester

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unsaturated compound

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chemical structure

(RS)-Linalyl benzoate.svg
393 × 163; 20 KB

media legend

struktura benzoesanu linalilu bez wskazania stereochemii cząsteczki (Polish)

structure of linalyl benzoate with undefined stereochemistry (English)

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mass

258.162±0 dalton

1 reference

stated in

PubChem

PubChem CID

31353

language of work or name

English

title

Linalyl benzoate (English)

retrieved

14 October 2016

chemical formula

C₁₇H₂₂O₂

1 reference

stated in

PubChem

PubChem CID

31353

language of work or name

English

title

Linalyl benzoate (English)

retrieved

14 October 2016

canonical SMILES

CC(=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1)C

1 reference

stated in

PubChem

PubChem CID

31353

language of work or name

English

title

Linalyl benzoate (English)

retrieved

14 October 2016

Commons category

Linalyl benzoate

0 references

Identifiers

InChI

InChI=1S/C17H22O2/c1-5-17(4,13-9-10-14(2)3)19-16(18)15-11-7-6-8-12-15/h5-8,10-12H,1,9,13H2,2-4H3

1 reference

stated in

PubChem

PubChem CID

31353

language of work or name

English

title

Linalyl benzoate (English)

retrieved

14 October 2016

InChIKey

BTJXBZZBBNNTOV-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

31353

language of work or name

English

title

Linalyl benzoate (English)

retrieved

14 October 2016

CAS Registry Number

126-64-7

2 references

stated in

Global Substance Registration System

UNII

2ADP7IT9Y3

language of work or name

English

title

linalyl benzoate (English)

retrieved

14 October 2016

InChIKey

BTJXBZZBBNNTOV-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=126-64-7

ChemSpider ID

29086

1 reference

stated in

ChemSpider

ChemSpider ID

29086

language of work or name

English

title

Linalyl benzoate (English)

retrieved

14 October 2016

PubChem CID

31353

2 references

stated in

PubChem

PubChem CID

31353

language of work or name

English

title

Linalyl benzoate (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

BTJXBZZBBNNTOV-UHFFFAOYSA-N

ChEBI ID

172501

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C17H22O2/c1-5-17(4,13-9-10-14(2)3)19-16(18)15-11-7-6-8-12-15/h5-8,10-12H,1,9,13H2,2-4H3

ChEMBL ID

CHEMBL3185292

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL3185292

language of work or name

English

title

CHEMBL3185292 (English)

retrieved

14 October 2016

SureChEMBL ID

SCHEMBL309150

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

BTJXBZZBBNNTOV-UHFFFAOYSA-N

UniChem compound ID

24539225

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID2047191

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

BTJXBZZBBNNTOV-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID0027191

0 references

NSC number

71926

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EC number

204-796-2

1 reference

stated in

Global Substance Registration System

UNII

2ADP7IT9Y3

language of work or name

English

title

linalyl benzoate (English)

retrieved

14 October 2016

ECHA Substance Infocard ID

100.004.361

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.004.361

retrieved

27 December 2018

title

Linalyl benzoate (English)

quotation

CAS no.: 126-64-7 (English)

FL number

09.771

1 reference

quotation

CAS no.: 126-64-7 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.771

CosIng number

40025

1 reference

stated in

CosIng database

CosIng number

40025

retrieved

28 December 2019

title

LINALYL BENZOATE (English)

quotation

CAS no.: 126-64-7 (English)

AICS Chemical ID (BEING DELETED)

3588

0 references

Human Metabolome Database ID

HMDB0030431

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

BTJXBZZBBNNTOV-UHFFFAOYSA-N

UNII

2ADP7IT9Y3

2 references

stated in

Global Substance Registration System

UNII

2ADP7IT9Y3

language of work or name

English

title

linalyl benzoate (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

BTJXBZZBBNNTOV-UHFFFAOYSA-N

J-GLOBAL ID

200907020714381386

0 references

JECFA number

859

1 reference

stated in

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

retrieved

13 May 2021

Nikkaji ID

J60.347C

0 references

 

Sitelinks

Wikipedia(1 entry)

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• eowiki Linalila benzoato

Wikibooks(0 entries)

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Wikinews(0 entries)

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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(1 entry)

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• commonswiki Category:Linalyl benzoate

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