geranyl butyrate (Q10864413)

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chemical compound

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Language	Label	Description	Also known as
English	geranyl butyrate	chemical compound

Statements

instance of

type of chemical entity

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subclass of

2,6-dimethyloctane monoterpenoid

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biogenic acyclic ester

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wax monoester

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chemical structure

Geranyl-butyrate-2D-skeletal.svg
550 × 127; 3 KB

0 references

mass

224.177630008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₄H₂₄O₂

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canonical SMILES

CCCC(=O)OCC=C(C)CCC=C(C)C

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isomeric SMILES

CCCC(=O)OC/C=C(\C)/CCC=C(C)C

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found in taxon

Schinus molle

1 reference

stated in

The volatile constituents of Schinus molle L

Cymbopogon martinii

2 references

stated in

Chemical Composition of Cymbopogon martinii (Roxb.) Wats. var. martinii

stated in

Composition of palmarosa (Cymbopogon martinii) essential oil from Madagascar

Thymus willkommii

1 reference

stated in

Composition and variability of the essential oil of Thymus willkomii

Bothriochloa bladhii

2 references

stated in

New Constituents ofBothriochloa bladhi

stated in

Essential oil composition of Bothriochloa pertusa and phyletic relationship in aromatic grasses

Cryptomeria japonica

1 reference

stated in

GC/MS Analysis of the Leaf Oil ofCryptomeria japonicaD. Don from Reunion Island

Pelargonium quercifolium

1 reference

stated in

Analysis of Essential Oils from Selected Cultivars ofPelargonium quercifoliumby GC/MS

Cymbopogon khasianus

1 reference

stated in

Essential Oil ofCymbopogon khasianus(Munro ex Hack.) Bor from Northeastern India

Origanum syriacum

1 reference

stated in

Chemical Composition ofOriganum syriacumL. Essential Oil.

Thymus funkii

1 reference

stated in

Composition and study of the variability of the essential oil ofThymus funkii Cosson

Geranium

1 reference

stated in

Chemical and Agronomical Investigations of a New Chemotype of Geranium

Foeniculum vulgare

1 reference

stated in

Antioxidant and antimicrobial activity of Foeniculum vulgare and Crithmum maritimum essential oils

Thymus camphoratus

1 reference

stated in

Composition and infraspecific variability of essential oil from Thymus camphoratus

Pelargonium ternifolium

1 reference

stated in

Composition of the Oil of Rose-Scented Geranium (Pelargonium sp.) Grown Under the Semiarid Tropical Climate of South India

Thymus longiflorus

1 reference

stated in

Composition and study of the variability of the essential oil ofThymus funkii Cosson

Cymbopogon martinii

2 references

stated in

Composition of palmarosa (Cymbopogon martinii) essential oil from Madagascar

stated in

Chemical Composition of Cymbopogon martinii (Roxb.) Wats. var. martinii

Thymus

1 reference

stated in

Essential oil and glycosidically bound volatiles of lemonscented thyme,Thymus ×citriodorus (Pers.) Schreb

Eryngium expansum

1 reference

stated in

Essential Oil of Eryngium L. Species from New South Wales (Australia)

Eryngium pandanifolium

1 reference

stated in

Essential Oil of Eryngium L. Species from New South Wales (Australia)

Eryngium rostratum

1 reference

stated in

Essential Oil of Eryngium L. Species from New South Wales (Australia)

Eryngium vesiculosum

1 reference

stated in

Essential Oil of Eryngium L. Species from New South Wales (Australia)

Commons category

Geranyl butyrate

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Identifiers

InChI

InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+

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InChIKey

ZSBOMYJPSRFZAL-JLHYYAGUSA-N

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CAS Registry Number

106-29-6

1 reference

InChIKey

ZSBOMYJPSRFZAL-JLHYYAGUSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=106-29-6

ChemSpider ID

7508

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PubChem CID

5355856

1 reference

matched by identifier from

InChIKey

InChIKey

ZSBOMYJPSRFZAL-JLHYYAGUSA-N

ChEBI ID

196029

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+

ChEMBL ID

CHEMBL3187344

0 references

SureChEMBL ID

SCHEMBL118465

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

ZSBOMYJPSRFZAL-JLHYYAGUSA-N

UniChem compound ID

14140055

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP006406

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005796

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MSBNK-Fac_Eng_Univ_Tokyo-JP007955

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SPLASH

splash10-014l-9000000000-c436cf6160d32f73057c

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splash10-000i-9100000000-1a037a23250f9f9b8845

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DSSTox substance ID

DTXSID1047152

1 reference

stated in

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

DSSTOX compound identifier

DTXCID9027152

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NSC number

46146

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70177

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EC number

203-381-3

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ECHA Substance Infocard ID

100.003.075

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.003.075

retrieved

27 December 2018

title

Geranyl butyrate (English)

quotation

CAS no.: 106-29-6 (English)

FL number

09.048

1 reference

quotation

CAS no.: 106-29-6 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.048

CosIng number

40081

1 reference

stated in

CosIng database

CosIng number

40081

retrieved

28 December 2019

title

GERANYL BUTYRATE (English)

quotation

CAS no.: 106-29-6 (English)

AICS Chemical ID (BEING DELETED)

2643

0 references

KNApSAcK ID

C00059060

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

ZSBOMYJPSRFZAL-JLHYYAGUSA-N

UNII

69AVH8L7KL

1 reference

matched by identifier from

InChIKey

InChIKey

ZSBOMYJPSRFZAL-JLHYYAGUSA-N

LIPID MAPS ID

LMFA07010616

1 reference

stated in

LIPID MAPS

reference URL

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

30 June 2018

Google Knowledge Graph ID

/g/155qw90h

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JECFA database ID

651

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JECFA number

66

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 Geranylbutyrat
• zhwiki 丁酸香叶酯

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:Geranyl butyrate

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