linalyl formate (Q27258072)

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chemical compound

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Language	Label	Description	Also known as
English	linalyl formate	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

2,6-dimethyloctane monoterpenoid

0 references

chemical structure

Linalyl formate.svg
512 × 287; 9 KB

0 references

mass

182.131 dalton

1 reference

stated in

PubChem

PubChem CID

61040

language of work or name

English

title

Linalyl formate (English)

retrieved

14 October 2016

chemical formula

C₁₁H₁₈O₂

1 reference

stated in

PubChem

PubChem CID

61040

language of work or name

English

title

Linalyl formate (English)

retrieved

14 October 2016

canonical SMILES

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

1 reference

stated in

PubChem

PubChem CID

61040

language of work or name

English

title

Linalyl formate (English)

retrieved

14 October 2016

found in taxon

Salvia sclarea

1 reference

stated in

Constituents of the Essential Oil of Salvia sclarea Growing Wild in Greece

Plectranthus glabratus

1 reference

stated in

Volatile Constituents of the Headspace and Essential Oil ofPlectranthus coleoidesMarginatus (Labiatae)

Zanthoxylum simulans

1 reference

stated in

Characteristics of the Steam-Distilled Oil and Carbon Dioxide Extract ofZanthoxylum simulansFruits†

Zingiber zerumbet

1 reference

stated in

Pharmacognostic Studies onZingiber zerumbet(Linné) Smith and its Proposed Variety (Family Zingiberaceae)

Zanthoxylum schinifolium

1 reference

stated in

Aroma constituents and alkylamides of red and green huajiao (Zanthoxylum bungeanum and Zanthoxylum schinifolium).

Piper nigrum

3 references

stated in

Volatiles of Black Pepper Fruits (Piper nigrum L.).

stated in

New amide alkaloids from the roots of Piper nigrum

stated in

Nigramides A-S, dimeric amide alkaloids from the roots of Piper nigrum

Nicotiana tabacum

1 reference

stated in

Comparison of different extraction methods: steam distillation, simultaneous distillation and extraction and headspace co-distillation, used for the analysis of the volatile components in aged flue-cured tobacco leaves

has characteristic

bitterness

1 reference

stated in

BitterDB

Identifiers

InChI

InChI=1S/C11H18O2/c1-5-11(4,13-9-12)8-6-7-10(2)3/h5,7,9H,1,6,8H2,2-4H3

1 reference

stated in

PubChem

PubChem CID

61040

language of work or name

English

title

Linalyl formate (English)

retrieved

14 October 2016

InChIKey

JZOCDHMHLGUPFI-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

61040

language of work or name

English

title

Linalyl formate (English)

retrieved

14 October 2016

CAS Registry Number

115-99-1

2 references

stated in

Global Substance Registration System

UNII

3V67WH3R5N

language of work or name

English

title

linalyl formate (English)

retrieved

14 October 2016

InChIKey

JZOCDHMHLGUPFI-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

10 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=115-99-1

ChemSpider ID

54999

1 reference

stated in

ChemSpider

ChemSpider ID

54999

language of work or name

English

title

Linalool, formate (English)

retrieved

14 October 2016

21428248

1 reference

stated in

ChemSpider

ChemSpider ID

21428248

language of work or name

English

title

3,7-Dimethyl-1,6-octadien-3-yl formate (English)

retrieved

14 October 2016

PubChem CID

61040

2 references

stated in

PubChem

PubChem CID

61040

language of work or name

English

title

Linalyl formate (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

JZOCDHMHLGUPFI-UHFFFAOYSA-N

ChEBI ID

195882

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C11H18O2/c1-5-11(4,13-9-12)8-6-7-10(2)3/h5,7,9H,1,6,8H2,2-4H3

ChEMBL ID

CHEMBL3185940

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL3185940

language of work or name

English

title

CHEMBL3185940 (English)

retrieved

14 October 2016

SureChEMBL ID

SCHEMBL135163

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

JZOCDHMHLGUPFI-UHFFFAOYSA-N

UniChem compound ID

24376559

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP006474

0 references

SPLASH

splash10-0006-9000000000-99c3df53fd7eab9d4ea8

0 references

DSSTox substance ID

DTXSID2047642

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

JZOCDHMHLGUPFI-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID0027642

0 references

NSC number

46116

0 references

EC number

204-120-6

1 reference

stated in

Global Substance Registration System

UNII

3V67WH3R5N

language of work or name

English

title

linalyl formate (English)

retrieved

14 October 2016

ECHA Substance Infocard ID

100.003.746

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.003.746

retrieved

27 December 2018

title

Linalyl formate (English)

quotation

CAS no.: 115-99-1 (English)

FL number

09.080

1 reference

quotation

CAS no.: 115-99-1 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.080

CosIng number

40028

1 reference

stated in

CosIng database

CosIng number

40028

retrieved

28 December 2019

title

LINALYLFORMATE (English)

quotation

CAS no.: 115-99-1 (English)

AICS Chemical ID (BEING DELETED)

1392

0 references

Human Metabolome Database ID

HMDB0030424

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

JZOCDHMHLGUPFI-UHFFFAOYSA-N

KNApSAcK ID

C00055973

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

JZOCDHMHLGUPFI-UHFFFAOYSA-N

UNII

3V67WH3R5N

2 references

stated in

Global Substance Registration System

UNII

3V67WH3R5N

language of work or name

English

title

linalyl formate (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

JZOCDHMHLGUPFI-UHFFFAOYSA-N

JECFA database ID

4142

0 references

JECFA number

358

1 reference

stated in

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

retrieved

13 May 2021

 

Sitelinks

Wikipedia(2 entries)

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• dewiki Linalylformiat
• eowiki Linalila formiato

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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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