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2-Methylbutyl acetate Structure

2-Methylbutyl acetate

  • Product Name2-Methylbutyl acetate
  • CAS624-41-9
  • CBNumberCB3747818
  • MFC7H14O2
  • MW130.18
  • EINECS210-843-8
  • MDL NumberMFCD00040494
  • MOL File624-41-9.mol

Chemical Properties

Melting point: -74.65°C (estimate)
Boiling point: 138 °C741 mm Hg(lit.)
Density  0.876 g/mL at 25 °C(lit.)
refractive index  n20/D 1.401(lit.)
FEMA  3644 | 2-METHYLBUTYL ACETATE
Flash point: 95 °F
color  APHA: ≤100
Odor at 100.00 %. over ripe fruit sweet banana juicy fruit
Odor Type fruity
biological source synthetic
JECFA Number 138
Henry's Law Constant 2.8×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
Exposure limits TLV-TWA: 50 ppm (266 mg/m3); TLV-STEL: 100 ppm (532 mg/m3)
Major Application flavors and fragrances
InChI 1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3
InChIKey XHIUFYZDQBSEMF-UHFFFAOYSA-N
SMILES CCC(C)COC(C)=O
LogP 2.12
CAS DataBase Reference 624-41-9(CAS DataBase Reference)
NIST Chemistry Reference 1-Butanol, 2-methyl-, acetate(624-41-9)
EPA Substance Registry System 1-Butanol, 2-methyl-, acetate (624-41-9)

Safety

Symbol(GHS)  Flame (GHS02)
GHS02
Signal word  Warning
Hazard statements  H226
Precautionary statements  P210-P370+P378
PPE Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Risk Statements  10-66
Safety Statements  23-25
RIDADR  UN 1104 3/PG 3
OEB A
OEL TWA: 100.0 ppm; 525.0 mg/m3
WGK Germany  1
RTECS  EL5466666
TSCA  TSCA listed
HazardClass  3.2
PackingGroup  III
HS Code  2915390090
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 3
NFPA 704:
3
0 0

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2-Methylbutyl acetate Chemical Properties,Usage,Production

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