18127-01-0

Name BOURGEONAL
CAS 18127-01-0
EINECS(EC#) 242-016-2
Molecular Formula C13H18O
MDL Number MFCD00169819
Molecular Weight 190.28
MOL File 18127-01-0.mol

Chemical Properties

Appearance Colourless Oil
Boiling point  265.8°C (rough estimate)
density  0.959
vapor pressure  0.2Pa at 20℃
RTECS  DA8100070
refractive index  1.5100
storage temp.  Refrigerator, Under Inert Atmosphere
solubility  Chloroform, DMSO, Ethyl Acetate
form  Colorless oil.
color  Colourless
Odor at 10.00 % in dipropylene glycol. fresh watery floral cyclamen sweet
Odor Type floral
Water Solubility  132mg/L at 20℃
Sensitive  Air Sensitive
Henry's Law Constant 1.1×100 mol/(m3Pa) at 25℃, Dupeux et al. (2022)
Stability: Air Sensitive
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C13H18O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6-10H,4-5H2,1-3H3
InChIKey FZJUFJKVIYFBSY-UHFFFAOYSA-N
SMILES CC(C)(C)c1ccc(CCC=O)cc1
LogP 3.2
CAS DataBase Reference 18127-01-0
EPA Substance Registry System Benzenepropanal, 4-(1,1-dimethylethyl)-(18127-01-0)

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)Health Hazard (GHS08)Environment (GHS09)
GHS06,GHS08,GHS09
Signal word  Danger
Hazard statements  H301-H317-H361d-H411
Precautionary statements  P202-P261-P273-P280-P301+P310-P302+P352
Hazard Codes  Xi,N,Xn
Risk Statements 
Safety Statements 
WGK Germany  WGK 2
TSCA  Yes
REACH Registrations Active
HazardClass  IRRITANT
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
Aquatic Chronic 2
Repr. 2
Skin Sens. 1
Toxicity
rabbit,LDLo,skin,5gm/kg (5000mg/kg),Food and Chemical Toxicology. Vol. 26, Pg. 287, 1988.

Hazard Information

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