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trans-2-Methyl-2-pentenoic acid Structure

trans-2-Methyl-2-pentenoic acid

  • Product Nametrans-2-Methyl-2-pentenoic acid
  • CAS16957-70-3
  • CBNumberCB5403219
  • MFC6H10O2
  • MW114.14
  • EINECS241-026-4
  • MDL NumberMFCD00002655
  • MOL File16957-70-3.mol

Chemical Properties

Melting point: 26-28 °C (lit.)
Boiling point: 125 °C/30 mmHg
Density  0.99
vapor density  >1 (vs air)
vapor pressure  1.63Pa at 24℃
refractive index  1.46
FEMA  3195 | 2-METHYL-2-PENTENOIC ACID
Flash point: 108 °C
storage temp.  Sealed in dry,Room Temperature
solubility  soluble in Chloroform, Methanol
pka 5.00±0.19(Predicted)
form  clear liquid
color  Colorless to Light orange to Yellow
Odor at 10.00 % in dipropylene glycol. fruity strawberry woody
Odor Type fruity
biological source synthetic
Water Solubility  insoluble
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4+
InChIKey JJYWRQLLQAKNAD-SNAWJCMRSA-N
SMILES CC\C=C(/C)C(O)=O
LogP 1.9 at 25℃
CAS DataBase Reference 16957-70-3(CAS DataBase Reference)
NIST Chemistry Reference 2-Pentenoic acid, 2-methyl-, (E)-(16957-70-3)
EPA Substance Registry System 2-Pentenoic acid, 2-methyl-, (2E)- (16957-70-3)
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Safety

Symbol(GHS)  Corrosion (GHS05)
GHS05
Signal word  Danger
Hazard statements  H314
Precautionary statements  P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes  C
Risk Statements  34
Safety Statements  26-36/37/39-45
RIDADR  UN 3261 8/PG 3
WGK Germany  2
TSCA  TSCA listed
HazardClass  8
PackingGroup  III
HS Code  2916199590
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Skin Corr. 1B
REACH Registrations Active
Limited Quantities 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
NFPA 704:
0
3 0

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