2-Methylbutyl 2-methylbutyrate Structure

2-Methylbutyl 2-methylbutyrate

Chemical Properties

Boiling point 70-72 °C11 mm Hg(lit.)
Density  0.855 g/mL at 25 °C(lit.)
FLAVIS Number 09.516 | 2-Methylbutyl 2-methylbutyrate
FEMA  3359 | 2-METHYLBUTYL 2-METHYLBUTYRATE
refractive index  n20/D 1.411-1.417(lit.)
Flash point 153 °F
form  clear liquid
color  Colorless to Light yellow
Odor at 10.00 % in dipropylene glycol. sweet fruity ester berry green waxy apple
Odor Type fruity
biological source synthetic
JECFA Number 212
Major Application flavors and fragrances
InChI 1S/C10H20O2/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3
InChIKey PVYFCGRBIREQLL-UHFFFAOYSA-N
SMILES CCC(C)COC(=O)C(C)CC
LogP 3.53
CAS DataBase Reference 2445-78-5(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) 2-METHYLBUTYL 2-METHYLBUTYRATE
FDA UNII HYC739X7BP
NIST Chemistry Reference Butanoic acid, 2-methyl-, 2-methylbutyl ester(2445-78-5)
EPA Substance Registry System 2-Methylbutyl 2-methylbutyrate (2445-78-5)
UNSPSC Code 12164502
NACRES NA.21

Safety

Signal wordWarning
Hazard statements H227
Precautionary statements P210-P280-P370+P378-P403+P235-P501
Hazard Codes  N
Risk Statements  51/53
Safety Statements  61
RIDADR  UN 3082 9/PG 3
WGK Germany  3
TSCA  TSCA listed
HS Code  29156000
Storage Class 10 - Combustible liquids
NFPA 704:
2
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2-Methylbutyl 2-methylbutyrate Chemical Properties,Usage,Production

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