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Reference substances

Reference substances

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General information

Inventory

EC number:
233-221-8
EC name:
α,α-dimethylphenethyl butyrate
CAS number:
10094-34-5

No inventory information available

Reference substance information

IUPAC name:
2-methyl-1-phenylpropan-2-yl butanoate
Synonyms
Names:
Butanoic acid, 1,1-dimethyl-2-phenylethyl ester
Identifier:
CAS number
10094-34-5
Identifier:
EC number
233-221-8
Identifier:
IUPAC name
2-methyl-1-phenylpropan-2-yl butanoate
Identifier:
IUPAC name
α,α-dimethylphenethyl butyrate
Identifier:
other: InChl
1/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3
Identifier:
other: SMILES notation
CCCC(=O)OC(C)(C)CC1=CC=CC=C1
Identifier:
other: InChl
InChI=1/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3
1,1-dimethyl-2-phenylethyl butyrate

CAS information

CAS number:
10094-34-5

Molecular and structural information

Molecular formula:
C14H20O2
Molecular weight:
220.307
SMILES notation:
CCCC(=O)OC(C)(C)Cc1ccccc1
InChl:
1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3
Structural formula:
Chemical structure