(Q82002861)

English

Butanoic acid, 3-methyl-, 3-methyl-3-buten-1-yl ester

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic acyclic ester

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mass

170.130679816 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₀H₁₈O₂

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canonical SMILES

CC(C)CC(=O)OCCC(=C)C

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found in taxon

Callitropsis nootkatensis

1 reference

stated in

The volatile oil of the leaves of chamaecyparis nootkatensis

Xanthocyparis nootkatensis

1 reference

stated in

The volatile oil of the leaves of chamaecyparis nootkatensis

Identifiers

InChI

InChI=1S/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h9H,1,5-7H2,2-4H3

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InChIKey

TYOOXFQTUDXXCL-UHFFFAOYSA-N

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CAS Registry Number

54410-94-5

1 reference

InChIKey

TYOOXFQTUDXXCL-UHFFFAOYSA-N

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=54410-94-5

PubChem CID

549297

1 reference

matched by identifier from

InChIKey

TYOOXFQTUDXXCL-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

TYOOXFQTUDXXCL-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID1041714

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