112-06-1

Name HEPTYL ACETATE
CAS 112-06-1
EINECS(EC#) 203-932-8
Molecular Formula C9H18O2
MDL Number MFCD00027311
Molecular Weight 158.24
MOL File 112-06-1.mol

Chemical Properties

Definition Liquid with fruity odor.
Melting point  −50 °C
Boiling point  192 °C
density  0,87 g/cm3
vapor density  5.5 (vs air)
vapor pressure  12 mm Hg ( 73 °C)
FEMA  2547
refractive index  n20/D 1.414
Fp  154 °F
storage temp.  Store at room temperature
form  clear liquid
color  A colourless liquid with a slightly floral odour
Specific Gravity 0.866~0.874 (20/4℃)
Odor at 100.00 %. fresh green rum ripe fruit pear apricot woody
biological source synthetic
Odor Type green
Thermal Conductivity 0.128 W/(m·K) at 25 ℃
JECFA Number 129
Henry's Law Constant 1.2×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3
InChIKey ZCZSIDMEHXZRLG-UHFFFAOYSA-N
SMILES CCCCCCCOC(C)=O
LogP 3.37
Uses
Artificial fruit essences.
CAS DataBase Reference 112-06-1(CAS DataBase Reference)
NIST Chemistry Reference Acetic acid, heptyl ester(112-06-1)
EPA Substance Registry System 112-06-1(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 
Safety Statements 
WGK Germany  2
RTECS  AH9901000
TSCA  TSCA listed
HS Code  29153900
Storage Class 10 - Combustible liquids
Toxicity
Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg

Hazard Information

Material Safety Data Sheet(MSDS)

Well-known Reagent Company Product Information

Supplier