Propofol

Names

[ CAS No. ]:
2078-54-8

[ Name ]:
Propofol

[Synonym ]:
2,6-Bis(1-methylethyl)phenol (2,6-Bis(isopropyl)phenol
2,6-i-Pr2-C6H3-OH
Diisopropylphenol
2,6-di-iso-Propylphenol
2,6-di(propan-2-yl)phenol
Propofolum
Disoprofol
2-hydroxy-1,3-diisopropylbenzene
Fresofol
Diprivan
EINECS 218-206-6
Disoprivan
2,6-Diisopropylphenol
2,5-DIHYDRO-5-OXO-1-PHENYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID DIMETHYLAMIDE
MFCD00008885

Biological Activity

[Description]:

Propofol potently and directly activates GABAA receptor and inhibits glutamate receptor mediated excitatory synaptic transmission. Propofol has antinociceptive properties and is used for sedation and hypnotic[1].

[Related Catalog]:

Signaling Pathways >> Membrane Transporter/Ion Channel >> GABA Receptor

Research Areas >> Neurological Disease

Signaling Pathways >> Neuronal Signaling >> GABA Receptor

[Target]

GABAA[1]

[In Vivo]

Propofol (i.p.; 40 mg/kg) causes full recovery from sedation occurred 36.3 mins. There is residual antinociception when assessed by ECT but not when assessed by noxious heat[1].

[References]

[1]. R Nadeson, et al. Antinociceptive Properties of Propofol: Involvement of Spinal Cord Gamma-Aminobutyric acid(A) Receptors. J Pharmacol Exp Ther . 1997 Sep;282(3):1181-6.

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
256.0±0.0 °C at 760 mmHg

[ Melting Point ]:
18 °C(lit.)

[ Molecular Formula ]:
C₁₂H₁₈O

[ Molecular Weight ]:
178.271

[ Flash Point ]:
107.5±7.2 °C

[ Exact Mass ]:
178.135757

[ PSA ]:
20.23000

[ LogP ]:
4.16

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.513

[ Storage condition ]:
0-6°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SL0810000

CHEMICAL NAME :: Phenol, 2,6-diisopropyl-

CAS REGISTRY NUMBER :: 2078-54-8

BEILSTEIN REFERENCE NO. :: 1866484

LAST UPDATED :: 199710

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C12-H18-O

MOLECULAR WEIGHT :: 178.30

WISWESSER LINE NOTATION :: QR BY1&1 FY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 386 mg/kg/14D-I

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - pleural thickening

REFERENCE :: CCMDC7 Critical Care Medicine. (Williams & Wilkins, 428 E. Preston Street, Baltimore, MD 21202) V.1- 1973- Volume(issue)/page/year: 23,1928,1995

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 2857 ug/kg/1D-I

TOXIC EFFECTS :: Behavioral - hallucinations, distorted perceptions Behavioral - rigidity (including catalepsy) Behavioral - irritability

REFERENCE :: ANASAB Anaesthesia. (Academic Press Inc. Ltd., 24-28 Oval Rd., London NW1 7DX, UK) V.1- 1946- Volume(issue)/page/year: 43,170,1988

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 26,953,1995

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 42 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 21,11,1993

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 26,953,1995

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 170 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 2,201,1960

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 50 mg/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - altered sleep time (including change in righting reflex) Behavioral - analgesia

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 23,1350,1980

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 20 mg/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - sleep Behavioral - muscle weakness

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 23,1350,1980 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Unreported

DOSE :: 2800 ug/kg

SEX/DURATION :: female 39 week(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - Apgar score (human only) Reproductive - Effects on Newborn - other neonatal measures or effects Reproductive - Effects on Newborn - behavioral

REFERENCE :: BJANAD British Journal of Anesthesia. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.1- 1923- Volume(issue)/page/year: 62,649,1989

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

[ Precautionary Statements ]:
P301 + P312 + P330-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S26-S36/37/39-S37/39

[ RIDADR ]:
2810

[ WGK Germany ]:
3

[ RTECS ]:
SL0810000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
2907199090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2907199090

[ Summary ]:
2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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