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3-Oxo-Butanoic Acid 3-Methylbutyl Ester
[CAS# 2308-18-1]

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Identification
Classification Flavors and spices >> Synthetic spice >> Carboxylic acid and ester perfume >> Aliphatic carboxylate
Name 3-Oxo-Butanoic Acid 3-Methylbutyl Ester
Synonyms Isopentyl 3-Oxobutanoate; 3-Oxobutanoic Acid Isopentyl Ester; 3-Ketobutyric Acid Isoamyl Ester
Molecular Structure CAS#: 2308-18-1, 3-Oxo-Butanoic Acid 3-Methylbutyl Ester
Molecular Formula C9H16O3
Molecular Weight 172.22
CAS Registry Number 2308-18-1
EINECS 218-991-5
FEMA 3551
SMILES C(C(C)C)COC(CC(C)=O)=O
InChI 1S/C9H16O3/c1-7(2)4-5-12-9(11)6-8(3)10/h7H,4-6H2,1-3H3
InChIKey XHRGPLDMNNGHCX-UHFFFAOYSA-N
Properties
Density 0.967g/cm3 (Cal.)
Boiling point 222-224°C (Expl.)
213.152°C at 760 mmHg (Cal.)
Flash point 82.446°C (Cal.)
Refractive index 1.426-1.433 (Expl.)
Safety Data
SDS Available
Market Analysis Reports
List of Reports Available for 3-Oxo-Butanoic Acid 3-Methylbutyl Ester
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