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Reference substances

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IUPAC name:
butyl acetate

Inventory

EC number:
204-658-1
EC name:
N-butyl acetate
CAS number:
123-86-4
CAS number:
123-86-4
Synonyms
Names:
1-Acetoxybutane
1-Butyl acetate
1-butyl acetate
Acetic acid n-butyl ester
Acetic acid, butyl ester
Butyl acetate
Butyl ethanoate
acetic acid butyl ester
acetic acid n-butyl ester
acetic acid, butyl ester
butyl ethanoate
n-Butyl acetate
Identifier:
EC number
204-658-1
Identifier:
IUPAC name
Butyl acetate
Identifier:
IUPAC name
N-butyl acetate
Identifier:
IUPAC name
butl acetate
Identifier:
IUPAC name
n-Butyl Acetate
Identifier:
IUPAC name
n-butyl acetate
Identifier:
other: UN Number
1123
Identifier:
other: InChl
1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
Identifier:
other: FEMA Number
2174
Identifier:
other: UNII
464P5N1905
Identifier:
other: NSC Number
9298
Identifier:
other: RTECS Number
AF7350000
Identifier:
other: SMILES notation
CCCCOC(C)=O
Identifier:
other: InChl
InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
Identifier:
other: InChl
InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
Identifier:
other: InChl
InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 Yes Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N
Identifier:
other: SMILES notation
O=C(C)OCCCC
Identifier:
other:
butyl ethanoate
Identifier:
other: Abreviation
n-BuOAc
butyl acetate

Molecular and structural information

Molecular formula:
C6H12O2
Molecular weight:
116.158
SMILES notation:
CCCCOC(=O)C
InChl:
InChI=1/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
Structural formula:
Chemical structure

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