3-(4-tert-Butylphenyl)propanal supplier

Name
BOURGEONAL
EINECS 242-016-2
CAS No. 18127-01-0
Article Data26
CAS DataBase
Density 0.938 g/cm³
Solubility 132mg/L at 20℃
Melting Point
Formula C₁₃H₁₈O
Boiling Point 265.102 °C at 760 mmHg
Molecular Weight 190.285
Flash Point 115.802 °C
Transport Information
Appearance Colourless oil
Safety 36/37-61
Risk Codes 22-43-51/53-62
Molecular Structure
Hazard Symbols Xi
Synonyms Hydrocinnamaldehyde,p-tert-butyl- (6CI,8CI);Bourgeonal;p-tert-Butyldihydrocinnamaldehyde;
PSA 17.07000
LogP 3.11560

3-(4-tert-Butylphenyl)propanal Chemical Properties

Molecular Formula: C₁₃H₁₈O
Molar mass: 190.2814 g/mol
EINECS: 242-016-2
Density: 0.938 g/cm³
Flash Point: 115.8 °C
Index of Refraction: 1.493
Boiling Point: 265.1 °C at 760 mmHg
Vapour Pressure: 0.00934 mmHg at 25°C
Appearance: Colourless Oil
Product categories of Bourgeonal (18127-01-0): Inhibitors
Structure of Bourgeonal (18127-01-0):

XLogP3-AA: 3.3
H-Bond Donor: 0
H-Bond Acceptor: 1
Systematic Name: 3-(4-Tert-butylphenyl)propanal
SMILES: O=CCCc1ccc(cc1)C(C)(C)C
InChI: InChI=1/C13H18O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6-10H,4-5H2,1-3H3
InChIKey: FZJUFJKVIYFBSY-UHFFFAOYAX
Std. InChI: InChI=1S/C13H18O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6-10H,4-5H2,1-3H3
Std. InChIKey: FZJUFJKVIYFBSY-UHFFFAOYSA-N

3-(4-tert-Butylphenyl)propanal Uses

Bourgeonal (18127-01-0) is a potent agonist at hOR17-4 (a human testicular olfactory receptor) and acts as a strong chemoattractant in sperm behavioral assays, and is an aromatic aldehyde used in perfumery.The bourgeonal-hOR17-4 signaling pathway potentially governs chemical communication between sperm and egg.

3-(4-tert-Butylphenyl)propanal Toxicity Data With Reference

1.		orl-rat LD50:2700 mg/kg		FCTOD7 Food and Chemical Toxicology. 26 (1988),287.
2.		skn-rbt LDLo:5 g/kg		FCTOD7 Food and Chemical Toxicology. 26 (1988),287.

3-(4-tert-Butylphenyl)propanal Consensus Reports

Reported in EPA TSCA Inventory.

3-(4-tert-Butylphenyl)propanal Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.

3-(4-tert-Butylphenyl)propanal Specification

Bourgeonal (18127-01-0) also can be called 3-[4-(2-Methyl-2-propanyl)phenyl]propanal ; 3-(4-Tert-butylphenyl)propanal ; 4-(1,1-Dimethylethyl)benzenepropanal ; Benzenepropanal, 4-(1,1-dimethylethyl)- and 3-[4-(2-mï¿½thylpropan-2-yl)phï¿½nyl]propanal .It is a pale yellow liquid at room temperature.It has a fragrance reminiscent of Lily of the Valley, otherwise described as floral, watery, green and aldehydic. Bourgeonal is suspected to be involved in helping sperm locate the ovum.

Product Name

BOURGEONAL