3,7-dimethylocta-1,3,7-triene (Q61739051)

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chemical compound

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Language	Label	Description	Also known as
English	3,7-dimethylocta-1,3,7-triene	chemical compound

Statements

instance of

type of chemical entity

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subclass of

2,6-dimethyloctane monoterpenoid

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acyclic monoterpene

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chemical structure

(3E)-3,7-Dimethyl-1,3,7-octatrien.svg
417 × 131; 9 KB

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mass

136.125200512 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₀H₁₆

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canonical SMILES

C=CC(=CCCC(=C)C)C

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found in taxon

Zanthoxylum schinifolium

1 reference

stated in

Chemical composition, antimicrobial and anti-inflammatory activities of the essential oil from Maqian (Zanthoxylum myriacanthum var. pubescens) in Xishuangbanna, SW China.

Actinodaphne longifolia

1 reference

stated in

Terpenes from Actinodaphne, Machilus and Neolitsea species

Daphne composita

1 reference

stated in

Terpenes from Actinodaphne, Machilus and Neolitsea species

Neolitsea aciculata

1 reference

stated in

Terpenes from Actinodaphne, Machilus and Neolitsea species

Machilus thunbergii

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stated in

Terpenes from Actinodaphne, Machilus and Neolitsea species

Salvia dorystaechas

1 reference

stated in

Composition of the Essential Oil ofDorystoechas hastata, A Monotypic Endemic from Turkey

Actinodaphne acuminata

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stated in

Terpenes from Actinodaphne, Machilus and Neolitsea species

Foeniculum vulgare

1 reference

stated in

Headspace solvent microextraction-gas chromatography-mass spectrometry for the analysis of volatile compounds from Foeniculum vulgare Mill

Persicaria hydropiperoides

1 reference

stated in

Analysis of the chemical composition of the essential oil of Polygonum minus Huds. using two-dimensional gas chromatography-time-of-flight mass spectrometry (GC-TOF MS)

tomato

2 references

stated in

Effect of autochthonous lactic acid bacteria starters on health-promoting and sensory properties of tomato juices

stated in

Differentiation of the volatile profile of microbiologically contaminated canned tomatoes by dynamic headspace extraction followed by gas chromatography-mass spectrometry analysis

Zingiber officinale

1 reference

stated in

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

Persicaria minor

1 reference

stated in

Analysis of the chemical composition of the essential oil of Polygonum minus Huds. using two-dimensional gas chromatography-time-of-flight mass spectrometry (GC-TOF MS)

Identifiers

InChI

InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3

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InChIKey

XJPBRODHZKDRCB-UHFFFAOYSA-N

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CAS Registry Number

502-99-8

1 reference

InChIKey

XJPBRODHZKDRCB-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=502-99-8

ChemSpider ID

4478389

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PubChem CID

5320249

1 reference

stated in

PubChem

retrieved

21 January 2023

inferred from

CAS Registry Number

101720

1 reference

matched by identifier from

InChIKey

InChIKey

XJPBRODHZKDRCB-UHFFFAOYSA-N

DSSTox substance ID

DTXSID9052135

1 reference

matched by identifier from

InChIKey

InChIKey

XJPBRODHZKDRCB-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID4030704

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EC number

207-957-5

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.007.234

retrieved

27 December 2018

title

3,7-dimethylocta-1,3,7-triene (English)

quotation

CAS no.: 502-99-8 (English)

ECHA Substance Infocard ID

100.007.234

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.007.234

retrieved

27 December 2018

title

3,7-dimethylocta-1,3,7-triene (English)

quotation

CAS no.: 502-99-8 (English)

AICS Chemical ID (BEING DELETED)

4542

0 references

Human Metabolome Database ID

HMDB0303851

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

XJPBRODHZKDRCB-UHFFFAOYSA-N

 

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