2445-78-5

Name 2-Methylbutyl 2-methylbutyrate
CAS 2445-78-5
EINECS(EC#) 219-497-2
Molecular Formula C10H20O2
MDL Number MFCD00059395
Molecular Weight 172.26
MOL File 2445-78-5.mol
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Chemical Properties

Boiling point  70-72 °C11 mm Hg(lit.)
density  0.855 g/mL at 25 °C(lit.)
FEMA  3359
refractive index  n20/D 1.411-1.417(lit.)
Fp  153 °F
form  clear liquid
color  Colorless to Light yellow
Odor at 10.00 % in dipropylene glycol. sweet fruity ester berry green waxy apple
biological source synthetic
Odor Type fruity
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)
NIST Chemistry Reference Butanoic acid, 2-methyl-, 2-methylbutyl ester(2445-78-5)
EPA Substance Registry System 2445-78-5(EPA Substance)
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Safety Data

Signal word  Warning
Hazard statements  H227
Precautionary statements  P210-P280-P370+P378-P403+P235-P501
Hazard Codes  N
Risk Statements 
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
RIDADR  UN 3082 9/PG 3
WGK Germany  3
TSCA  TSCA listed
HS Code  29156000
Storage Class 10 - Combustible liquids

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