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Cyclohexene oxide

Cyclohexene oxide structure

CAS No:
286-20-4
Formula:
C6H10O
Chemical Name:
Cyclohexene oxide
Synonyms:
7-Oxabicyclo[4.1.0]heptane;Cyclohexane,1,2-epoxy-;1,2-Epoxycyclohexane;1,2-Cyclohexene oxide;Cyclohexene epoxide;Cyclohexylene oxide;Tetramethyleneoxirane;Cyclohexane oxide;cis-1,2-Epoxycyclohexane;2,3-Tetramethyleneoxirane;cis-7-Oxabicyclo[4.1.0]heptane;cis-Cyclohexene oxide;NSC 128074;NSC 5218;Cyclohexene oxide;137422-07-2;26637-95-6;28165-18-6
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

Description

clear colorless to yellow liquid

Cyclohexene oxide is a cycloaliphatic epoxide. It can react in cationic polymerization to poly(cyclohexene oxide). As cyclohexene is monovalent, poly(cyclohexene oxide) is a thermoplastic.

Cyclohexene oxide Basic Attributes

Molecular Weight：

98.14300

Exact Mass：

98.14

EC Number：

206-007-7

NSC Number：

128074|5218

DSSTox ID：

DTXSID6024880

Color/Form：

COLORLESS LIQUID

HScode：

29109000

Characteristics

PSA：

12.53000

XLogP3：

1.32780

Appearance：

clear colorless to yellow liquid

Density：

0.967 g/cm³ @ Temp: 25 °C

Melting Point：

>-10 °C

Boiling Point：

129-130 °C

Flash Point：

27ºC

Refractive Index：

1.452-1.454

Water Solubility：

H2O: INsoluble ;VERY SOL IN BENZENE; SOL IN CHLOROFORM

Storage Conditions：

Flammables area

Vapor Pressure：

12mmHg at 25°C

Toxicity：

LD50 orally in Rabbit: 1060 mg/kg LD50 dermal Rabbit 612 mg/kg

Odor：

STRONG ODOR

Peroxide Forming Chemical：

Cyclohexene Oxide|D*: Other compounds that may form peroxides|1 samples had 1 ppm peroxide; age >1 yrs|Management of time-sensitive chemicals (JCHAS)

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 2924

wgk germany：

hazard class code：

R10; R20/21/22; R34

safety instructions：

S16-S26-S36/37/39-S45

RTECS Number：

RN7175000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338-P310

Hazard Statements：

H226-H302-H311 + H331-H314

RIDADR：

UN 2924

Caution Statement：

P261; P280; P305 + P351 + P338; P310

GHS Classification：

|Danger|H226 (98.63%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P337+P313, P361, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 151 companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P302+P352, P303+P361+P353, P312, P322, P330, P361, P363, P370+P378, P403+P235, P405, and P501

Fire Potential：

FLAMMABLE, DANGEROUS FIRE RISK.

Toxicity

Interactions：

MODIFIER OF MICROSOMAL EPOXIDE HYDRASE ACTIVITY, CYCLOHEXENE OXIDE, EXERTS DIFFERENTIAL EFFECTS ON CATALYTIC ACTIVITY OF PURIFIED ENZYME FROM RAT LIVER. CYCLOHEXENE OXIDE INHIBITS RATE OF METAB OF BENZO(A)PYRENE 11,12-OXIDE & DIBENZO(A,H)-ANTHRACENE 5,6-OXIDE.|CYCLOHEXENE OXIDE ADMIN IP TO RATS, INHIBITED BILIARY EXCRETION OF METHYL MERCURY. THESE RESULTS PROBABLY REFLECT THE CONJUGATION OF CYCLOHEXENE TO GLUTATHIONE IN THE LIVER.|CO-ADMIN OF CYCLOHEXANE OXIDE AND CHLOROBENZENE REDUCED THE RATE OF METABOLISM OF CHLOROBENZENE AND PREVENTED HEPATIC CENTRILOBULAR NECROSIS CAUSED BY THIS COMPD IN RATS.|INDUCED LUNG HYDROXYLASES HAD KM VALUES OF 1.10 AND 0.52 IN MOUSE AND HAMSTER, RESPECTIVELY. THEY WERE STRONGLY STIMULATED BY CYCLOHEXENE OXIDE.

Drug Information

Metabolism/Metabolites：

RABBIT LIVER MICROSOMES OXIDIZED CYCLOHEXENE OXIDE. THEREFORE, EPOXIDES ARE INTERMEDIATES IN THE OXIDATION OF ALKENES TO GLYCOLS IN LIVER MICROSOMES.|ON INCUBATION WITH RABBIT LIVER MICROSOMES CYCLOHEXENE OXIDE WAS CONVERTED TO THE CORRESPONDING 1,2-GLYCOL BY EPOXIDE HYDRASE.

Human Toxicity Excerpts：

CYCLOHEXENE OXIDE IS A CILIA TOXIC AND MUCUS COAGULATING AGENT IDENTIFIED IN AIR POLLUTANTS. /FROM TABLE/

MeSH Entry Terms：

cyclohexene oxide

Cyclohexene oxide Use and Manufacturing

Methods of Manufacturing

PROBABLY BY REACTION OF CYCLOHEXENE WITH A PEROXY ACID, EG, PERACETIC ACID

Uses

It is an intermediate for the synthesis of pesticide acaricide Kefente [2-(4-tert-butylphenoxy)cyclohexyl-prop-2-ynylsulfite]. The main raw material of Ketete EC can also be used for synthesis Surfactant rubber additives trans-12-cyclohexanediol, trans-2-aminocyclohexanol, etc.

Production

(1979) PROBABLY GREATER THAN 4.54X10+6 GRAMS|(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Formulations：

GRADE: 98% PURE.

Manufacturing Info：

7-Oxabicyclo[4.1.0]heptane: ACTIVE

Analytic Methods：

EPOXIDES WERE REACTED WITH AN EXCESS AMT OF 4-(P-NITROBENZYL)PYRIDINE AND THE ABSORBANCE OF THE PRODUCT AT ABSORBANCE MAX WAS MEASURED FOR THE DETERMINATION OF THE CONCN OF EPOXIDES.

Computed Properties

Molecular Weight:98.14
XLogP3:1.2
Hydrogen Bond Acceptor Count:1
Exact Mass:98.073164938
Monoisotopic Mass:98.073164938
Topological Polar Surface Area:12.5
Heavy Atom Count:7
Complexity:70.2
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

62704-89-6

Material

Diglyme

Hydrogen peroxide

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