异丙酚

Description

2,6-Diisopropylphenol · CAS 2078-54-8 · C12H18O. UNII YI7VU623SF. Boiling Point: 256; Boiling Point: 242 °C; Boiling Point: 254.00 to 256.00 °C. @ 764.00 mm Hg.

Identification

CAS Registry Number	2078-54-8
PubChem CID	4943
Molecular formula	C12H18O
IUPAC name	2,6-di(propan-2-yl)phenol
UNII (FDA)	YI7VU623SF

Computed Descriptors

Molecular Weight	178.27
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	178.135765193
Monoisotopic Mass	178.135765193
Topological Polar Surface Area	20.2
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Boiling Point	256
Boiling Point	242 °C
Boiling Point	254.00 to 256.00 °C. @ 764.00 mm Hg
Melting Point	18
Melting Point	18 °C
Solubility	124
Solubility	1.58e-01 g/L
Density	0.955 g/cu cm @ 20 °C
LogP	3.79
LogP	log Kow = 3.79

Physical description & handling notes

• Liquid
• Light-straw-colored liquid
• Insoluble in water. Soluble in alcohol and toluene.
• Propofol should not be used if there is evidence of separation of the emulsion phases.
• Index of refraction (sodium light): 1.5134 @ 20 °C; 1.5111 @ 25 °C.
• 143.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID6023523]

GHS Hazard Classification

Reported hazard statements	H302 (100%), H315 (97.5%), H319 (97.5%), H335 (95.5%)

Documented Uses

• Use (kg; approx.) in Germany (2009): >5000
• Consumption (g per capita; approx.) in Germany (2009): 0.0611
• Consumption (g per capita) in the USA (2002): 0.0242
• Its widespread use as an anesthetic induction agent has largely replaced that of sodium pentothal. It is also commonly used in veterinary medicine. (L1002). Used for induction and/or maintenance of anaesthesia and for management of refractory status epilepticus.
• Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
• B.E. Firth, T.J. Rosen, US 4447657 (1984 to Universal Oil Products).

Synonyms

propofol; 2,6-DIISOPROPYLPHENOL; 2078-54-8; Diprivan; Disoprofol; Disoprivan; Fresofol; Rapinovet; Ampofol; 2,6-Bis(1-methylethyl)phenol; Propofolum; Phenol, 2,6-bis(1-methylethyl)-; ICI 35868; Propovan; ICI-35868; Propoven

Frequently Asked Questions

What are the CAS number and molecular formula of 2,6-Diisopropylphenol?

CAS 2078-54-8; molecular formula C12H18O; molecular weight — g/mol.

What other names is 2,6-Diisopropylphenol known by?

propofol, 2,6-DIISOPROPYLPHENOL, 2078-54-8, Diprivan, Disoprofol, Disoprivan.

Is 2,6-Diisopropylphenol classified as hazardous?

Hazard statements reported: H302, H315, H319, H335.

What are the key physical properties of 2,6-Diisopropylphenol?

Boiling Point: 256; Boiling Point: 242 °C; Boiling Point: 254.00 to 256.00 °C. @ 764.00 mm Hg; Melting Point: 18.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.