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BOURGEONAL

Chemical Properties

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)

Hazard Codes	Xi,N,Xn
Risk Statements	22-43-51/53-62
Safety Statements	36/37-61
WGK Germany	WGK 2
TSCA	TSCA listed
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.