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Methyl heptanoate Structure

Methyl heptanoate

Chemical Properties

Melting point -56°C
Boiling point 172-173 °C(lit.)
Density  0.87 g/mL at 25 °C(lit.)
refractive index  n20/D 1.411(lit.)
FEMA  2705 | METHYL HEPTANOATE
Flash point 127 °F
storage temp.  room temp
solubility  Chloroform: soluble; Ethanol: soluble; Ethyl ether: soluble
form  Liquid
color  Colorless to Light yellow
Odor at 100.00 %. sweet fruit green orris waxy floral berry
Odor Type fruity
biological source synthetic
Specific Heat Capacity Cp(liquid): 1.98 J/(g·K), at 25℃
JECFA Number 167
BRN  1747147
Henry's Law Constant 1.8×10-2 mol/(m3Pa) at 25℃, Plyasunov et al. (2004)
Dielectric constant 4.3600000000000003
Major Application cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3
InChIKey XNCNNDVCAUWAIT-UHFFFAOYSA-N
SMILES CCCCCCC(=O)OC
LogP 2.83
CAS DataBase Reference 106-73-0(CAS DataBase Reference)
NIST Chemistry Reference Heptanoic acid, methyl ester(106-73-0)
EPA Substance Registry System Methyl heptanoate (106-73-0)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  16-26-36
RIDADR  UN 3272 3/PG 3
WGK Germany  2
RTECS  MJ2297500
TSCA  TSCA listed
HS Code  2915 90 70
HazardClass  3.2
PackingGroup  III
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 3
Toxicity LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg

MSDS

Usage And Synthesis

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