ChemicalBook--->CAS DataBase List--->18127-01-0

18127-01-0

18127-01-0 Structure

18127-01-0 Structure
IdentificationBack Directory
[Name]

BOURGEONAL
[CAS]

18127-01-0
[Synonyms]

BOURGEONAL
Brn 2439407
Einecs 242-016-2
BOURGEONAL T 02759
4-tert-Butylbenzenepropanal
3-(4-TERT-BUTYLPHENYL)PROPANAL
p-tert-butyldihydrocinnamaldehyde
p-tert-Butylhydrocinnamicaldehyde
4-TERT-BUTYLDIHYDROCINNAMALDEHYDE
4-TERT-BUTYLBENZENEPROPIONALDEHYDE
4-(1,1-dimethylethyl)-benzenepropana
4-(1,1-dimethylethyl)benzenepropanal
3-(4-tert-Butylphenyl)propionaldehyd
PARA-TERT-BUTYLDIHYDROCINNAMALDEHYDE
4-(1,1-dimethylethyl)-Benzenepropanal
3-(4-ISOPROPYL-PHENYL)-PROPIONALDEHYDE
Benzenepropanal, 4-(1,1-dimethylethyl)-
3-(4-TERT-BUTYL-PHENYL)-PROPIONALDEHYDE
3-(4-TERT-BUTYL-PHENYL)-PROPIONALDEHYDE, BOURGEONAL
[EINECS(EC#)]

242-016-2
[Molecular Formula]

C13H18O
[MDL Number]

MFCD00169819
[MOL File]

18127-01-0.mol
[Molecular Weight]

190.28
Chemical PropertiesBack Directory
[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)
Hazard InformationBack Directory
[Chemical Properties]

Colourless Oil
[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.
[Trade name]

Bourgeonal (Givaudan)
[storage]

Store at -20°C
Safety DataBack Directory
[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 ]

22-43-51/53-62
[Safety Statements ]

36/37-61
[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.
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