linalyl propionate (Q27274686)

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chemical compound

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Language	Label	Description	Also known as
English	linalyl propionate	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

2,6-dimethyloctane monoterpenoid

0 references

biogenic acyclic ester

0 references

mass

210.162±0 dalton

1 reference

stated in

PubChem

PubChem CID

61098

language of work or name

English

title

Linalyl propionate (English)

retrieved

14 October 2016

chemical formula

C₁₃H₂₂O₂

1 reference

stated in

PubChem

PubChem CID

61098

language of work or name

English

title

Linalyl propionate (English)

retrieved

14 October 2016

canonical SMILES

CCC(=O)OC(C)(CCC=C(C)C)C=C

1 reference

stated in

PubChem

PubChem CID

61098

language of work or name

English

title

Linalyl propionate (English)

retrieved

14 October 2016

found in taxon

Annona muricata

1 reference

stated in

Essential Oil Compounds of theAnnona muricataFresh Fruit Pulp from Cameroon

Tanacetum parthenium

1 reference

stated in

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

Zanthoxylum schinifolium

1 reference

stated in

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

Zingiber officinale

1 reference

stated in

Determination of volatile components in ginger using gas chromatography-mass spectrometry with resolution improved by data processing techniques

Zanthoxylum chalybeum

1 reference

stated in

Composition of the Leaf Oil of Zanthoxylum chalybeum Thunb

Zanthoxylum chalybaeum

1 reference

stated in

Composition of the Leaf Oil of Zanthoxylum chalybeum Thunb

Lavandula angustifolia

1 reference

stated in

Composition of the Essential Oil of Lavender (Lavandula angustifoliaMill.) from Lithuania

Identifiers

InChI

InChI=1S/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3

1 reference

stated in

PubChem

PubChem CID

61098

language of work or name

English

title

Linalyl propionate (English)

retrieved

14 October 2016

InChIKey

WAQIIHCCEMGYKP-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

61098

language of work or name

English

title

Linalyl propionate (English)

retrieved

14 October 2016

CAS Registry Number

144-39-8

2 references

stated in

Global Substance Registration System

UNII

BI845A018T

language of work or name

English

title

linalyl propionate (English)

retrieved

14 October 2016

InChIKey

WAQIIHCCEMGYKP-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

8 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=144-39-8

ChemSpider ID

55049

1 reference

stated in

ChemSpider

ChemSpider ID

55049

language of work or name

English

title

Linalool propanoate (English)

retrieved

14 October 2016

PubChem CID

61098

2 references

stated in

PubChem

PubChem CID

61098

language of work or name

English

title

Linalyl propionate (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

WAQIIHCCEMGYKP-UHFFFAOYSA-N

ChEBI ID

174062

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3

ChEMBL ID

CHEMBL3186660

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL3186660

language of work or name

English

title

CHEMBL3186660 (English)

retrieved

14 October 2016

SureChEMBL ID

SCHEMBL538489

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

WAQIIHCCEMGYKP-UHFFFAOYSA-N

UniChem compound ID

24261913

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP006912

0 references

SPLASH

splash10-0006-9100000000-fa9b80fbc07bb1017509

0 references

DSSTox substance ID

DTXSID1047574

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

WAQIIHCCEMGYKP-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID9027574

0 references

NSC number

46139

0 references

EC number

205-627-5

1 reference

stated in

Global Substance Registration System

UNII

BI845A018T

language of work or name

English

title

linalyl propionate (English)

retrieved

14 October 2016

ECHA Substance Infocard ID

100.005.116

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.005.116

retrieved

27 December 2018

title

Linalyl propionate (English)

quotation

CAS no.: 144-39-8 (English)

FL number

09.130

1 reference

quotation

CAS no.: 144-39-8 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.130

CosIng number

40033

1 reference

stated in

CosIng database

CosIng number

40033

retrieved

28 December 2019

title

LINALYL PROPIONATE (English)

quotation

CAS no.: 144-39-8 (English)

Human Metabolome Database ID

HMDB0030425

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

WAQIIHCCEMGYKP-UHFFFAOYSA-N

KNApSAcK ID

C00059951

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

WAQIIHCCEMGYKP-UHFFFAOYSA-N

UNII

BI845A018T

2 references

stated in

Global Substance Registration System

UNII

BI845A018T

language of work or name

English

title

linalyl propionate (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

WAQIIHCCEMGYKP-UHFFFAOYSA-N

JECFA database ID

4435

0 references

JECFA number

360

1 reference

stated in

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

retrieved

13 May 2021

 

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