2639-63-6

Name Hexyl butyrate
CAS 2639-63-6
EINECS(EC#) 220-136-6
Molecular Formula C10H20O2
MDL Number MFCD00048884
Molecular Weight 172.26
MOL File 2639-63-6.mol

Chemical Properties

Melting point  -78°C
Boiling point  205 °C(lit.)
density  0.851 g/mL at 25 °C(lit.)
vapor pressure  30Pa at 20℃
FEMA  2568
refractive index  n20/D 1.417(lit.)
Fp  178 °F
storage temp.  Store below +30°C.
form  neat
color  Colorless to Almost colorless
Odor at 10.00 % in dipropylene glycol. green sweet fruity apple waxy soapy
biological source synthetic
Odor Type green
Water Solubility  20.3mg/L at 20℃
Thermal Conductivity 0.137 W/(m·K) at 25 ℃
JECFA Number 153
Henry's Law Constant 1.1×10-2 mol/(m3Pa) at 25℃, Dupeux et al. (2022)
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3
InChIKey XAPCMTMQBXLDBB-UHFFFAOYSA-N
SMILES CCCCCCOC(=O)CCC
LogP 4.4 at 35℃
CAS DataBase Reference 2639-63-6(CAS DataBase Reference)
NIST Chemistry Reference Butanoic acid, hexyl ester(2639-63-6)
EPA Substance Registry System 2639-63-6(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H227
Precautionary statements  P210-P280-P370+P378-P403+P235-P501
Risk Statements 
R10:Flammable.
Safety Statements 
S16:Keep away from sources of ignition-No smoking .
RIDADR  3272
WGK Germany  2
RTECS  ET4203000
TSCA  TSCA listed
REACH Registrations Active
HS Code  29156000
Storage Class 10 - Combustible liquids
Toxicity
LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

Well-known Reagent Company Product Information

Supplier