4-tert-Butylbenzaldehyde , 97% , 939-97-9

CAS NO.：939-97-9

Empirical Formula: C11H14O

Molecular Weight: 162.23

MDL number: MFCD00035742

EINECS: 213-367-9

PRODUCT Properties

• Melting point: 245-246 °C
• Boiling point: 130 °C25 mm Hg(lit.)
• Density: 0.97 g/mL at 25 °C(lit.)
• refractive index: n20/D 1.53(lit.)
• Flash point: 214 °F
• storage temp.: Keep in dark place,Inert atmosphere,2-8°C
• form: Liquid
• color: Clear colorless to yellow
• explosive limit: 1.3-5.6%(V)
• Water Solubility: Soluble in water.
• Sensitive: Air & Light Sensitive
• BRN: 1906461
• Cosmetics Ingredients Functions: FRAGRANCE
• InChI: 1S/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3
• InChIKey: OTXINXDGSUFPNU-UHFFFAOYSA-N
• SMILES: [H]C(=O)c1ccc(cc1)C(C)(C)C
• LogP: 3.330 (est)
• CAS DataBase Reference: 939-97-9(CAS DataBase Reference)
• EPA Substance Registry System: p-tert-Butylbenzaldehyde (939-97-9)

Description and Uses

Used for preparing isoxazolyl penicillin derivatives. 4-tert-Butylbenzaldehyde is suitable for use in a kinetic study to evaluate the kinetic constants (KI) for inhibition of mushroom tyrosinase by 4-substituted benzaldehydes. It is also an important intermediate for the synthesis of medicines, dyes, flavor and fragrance compounds.

Safety

• Symbol(GHS): GHS06,GHS08,GHS09
• Signal word: Danger
• Hazard statements: H301-H317-H361fd-H400
• Precautionary statements: P202-P261-P273-P280-P301+P310-P302+P352
• PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
• Hazard Codes: Xn,N,Xi
• Risk Statements: 22-43-50/53
• Safety Statements: 36/37-60-61
• RIDADR: UN 3082 9/PG 3
• WGK Germany: 2
• F: 8-9-23
• Hazard Note: Irritant
• TSCA: TSCA listed
• HazardClass: 9
• PackingGroup: III
• HS Code: 29122990
• Storage Class: 6.1C - Combustible acute toxic Cat.3; toxic compounds or compounds which causing chronic effects
• Hazard Classifications: Acute Tox. 3 Oral; Aquatic Acute 1; Repr. 2; Skin Sens. 1
• REACH Registrations: Active