(Q105276967)

English

1-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one

group of stereoisomers with the chemical formula C₁₃H₂₀O₂

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Statements

instance of

group of stereoisomers

0 references

1 reference

208.14632988 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₃H₂₀O₂

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canonical SMILES

O=C(C=CC)C1=C(C)CC(O)CC1(C)C

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found in taxon

basil

1 reference

stated in

Chemical composition and antioxidant capacity of free volatile aglycones from basil (Ocimum basilicum L.) compared with its essential oil

Nicotiana tabacum

2 references

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

stated in

Toxicological evaluation of aerosols of a tobacco extract formulation and nicotine formulation in acute and short-term inhalation studies.

Identifiers

InChI

InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3

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InChIKey

UPRXEFYRIACHQZ-UHFFFAOYSA-N

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CAS Registry Number

56915-02-7

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

UPRXEFYRIACHQZ-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

UPRXEFYRIACHQZ-UHFFFAOYSA-N

(Q105276967)

1-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one

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