Methyl 2-methylbutyrate Structure

Methyl 2-methylbutyrate

Chemical Properties

Melting point -91°C (estimate)
Boiling point 115 °C (lit.)
Density  0.88 g/mL at 25 °C (lit.)
FEMA  2719 | METHYL 2-METHYLBUTYRATE
refractive index  n20/D 1.393(lit.)
FLAVIS Number 09.483 | Methyl 2-methylbutyrate
Flash point 90 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Very slightly soluble in water, soluble in alcohol and oils.
form  Liquid
color  Colorless to Almost colorless
Odor at 10.00 % in dipropylene glycol. ethereal estery fruity tutti frutti green apple lily of the valley powdery fatty
Odor Type fruity
biological source synthetic
JECFA Number 205
BRN  1720409
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
InChIKey OCWLYWIFNDCWRZ-UHFFFAOYSA-N
SMILES CCC(C)C(=O)OC
LogP 1.59
CAS DataBase Reference 868-57-5(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) METHYL 2-METHYLBUTYRATE
FDA 21 CFR 172.515
FDA UNII OLG4D4939V
NIST Chemistry Reference Butanoic acid, 2-methyl-, methyl ester(868-57-5)
EPA Substance Registry System Butanoic acid, 2-methyl-, methyl ester (868-57-5)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)
Signal wordWarning
Hazard statements H226
Precautionary statements P210-P233-P240-P241-P242-P243
Risk Statements  10-11
Safety Statements  16-23-33-29-7/9
RIDADR  UN 3272 3/PG 3
WGK Germany  2
TSCA  TSCA listed
HazardClass  3
PackingGroup  II
HS Code  29159000
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 3
NFPA 704:
3
2 0

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