Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Thymol acetate	528-79-0	68252

Structure

Other Information

Canonical SMILES	CC1=CC(=C(C=C1)C(C)C)OC(=O)C
Iso SMILES	CC1=CC(=C(C=C1)C(C)C)OC(=O)C
InChI	InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3
InChI Key	WFMIUXMJJBBOGJ-UHFFFAOYSA-N
Formula	C12H16O2
Mol Weight	192.254
XlogP3	3
Charge	0

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Synonyms Information

CAS Name	acetic acid (5-methyl-2-propan-2-ylphenyl) ester
IUPAC Name	(2-isopropyl-5-methyl-phenyl) acetate
Openeye Name	(5-methyl-2-propan-2-ylphenyl) acetate
Systematic Name	(5-methyl-2-propan-2-yl-phenyl) ethanoate
Tratitional Name	(5-methyl-2-propan-2-yl-phenyl) ethanoate