Bourgeonal , ≥98% , 18127-01-0

CAS NO.：18127-01-0

Empirical Formula: C13H18O

Molecular Weight: 190.28

MDL number: MFCD00169819

EINECS: 242-016-2

PRODUCT 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)

Description and Uses

A potent agonist at hOR17-4 (a human testicular olfactory receptor) and acts as a strong chemoattractant in sperm behavioral assays. The bourgeonal-hOR17-4 signaling pathway potentially governs chemi cal communication between sperm and egg and may be used to manipulate or block fertilization.

Safety

• Symbol(GHS): 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: 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.
• REACH Registrations: Active