Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Linalyl Acetate / Bergamol	115-95-7	8294

Structure

Other Information

Canonical SMILES	CC(=CCCC(C)(C=C)OC(=O)C)C
Iso SMILES	CC(=CCCC(C)(C=C)OC(=O)C)C
InChI	InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3
InChI Key	UWKAYLJWKGQEPM-UHFFFAOYSA-N
Formula	C12H20O2
Mol Weight	196.286
XlogP3	3.3
Charge	0

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Synonyms Information

CAS Name	acetic acid 3,7-dimethylocta-1,6-dien-3-yl ester
IUPAC Name	(1,5-dimethyl-1-vinyl-hex-4-enyl) acetate
Openeye Name	3,7-dimethylocta-1,6-dien-3-yl acetate
Systematic Name	3,7-dimethylocta-1,6-dien-3-yl ethanoate
Tratitional Name	3,7-dimethylocta-1,6-dien-3-yl ethanoate