IDENTITY
结构与身份
- 标准 SMILES
- C1CCC2OC2C1
- InChIKey
- ZWAJLVLEBYIOTI-UHFFFAOYSA-N
- 分子式
- C6H10O
- 平均分子量
- 98.14 g/mol
- 单同位素质量
- 98.07316494
COMPUTED
结构计算性质
- XLogP
- 1.2
- 极性表面积
- 12.5 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 0
- 重原子
- 7
- 形式电荷
- 0
- 复杂度
- 70
PROPERTIES
实验与物化性质
Odor
STRONG ODOR
Density
0.967 @ 25 °C/4 °C
Color/Form
COLORLESS LIQUID
Solubility
SOL IN ALC, ETHER, ACETONE; INSOL IN WATER
VERY SOL IN BENZENE; SOL IN CHLOROFORM
Flash Point
81 °C CC
Boiling Point
129-130 °C
Melting Point
GREATER THAN -10 °C
Refractive Index
INDEX OF REFRACTION: 1.4503 @ 25 °C/D
Physical Description
Colorless liquid; [HSDB]
Kovats Retention Index
1158;1158;1152
GHS
GHS 分类
GHS Classification
This chemical does not meet GHS hazard criteria for 3.2% (5 of 158) of reports.
Danger
H226 (95.6%): Flammable liquid and vapor [Warning Flammable liquids];H302 (96.2%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (84.8%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (20.9%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (77.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (58.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H331 (72.2%): Toxic if inhaled [Danger Acute toxicity, inhalation];H341 (52.5%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 158 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 5 of 158 reports by companies.;There are 15 notifications provided by 153 of 158 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
HAZARDS
危害信息
Regulatory Information
Chemical: 7-Oxabicyclo[4.1.0]heptane
Status: Active Update: 20-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5629
Epoxycyclohexane: Does not have an individual approval but may be used under an appropriate group standard
Fire Potential
FLAMMABLE, DANGEROUS FIRE RISK.
Hazards Summary
A tumorigen and mutagen; [RTECS] An irritant; [MSDSonline]
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)
Hazard Classes and Categories
Flam. Liq. 3 (95.6%);Acute Tox. 4 (96.2%);Acute Tox. 3 (84.8%);Acute Tox. 4 (20.9%);Skin Corr. 1B (77.8%);Eye Dam. 1 (58.9%);Acute Tox. 3 (72.2%);Muta. 2 (52.5%)
Flammable liquids - Category 3;Acute toxicity (Oral) - Category 4;Acute toxicity (Dermal) - Category 3
TOXICITY
毒理信息
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.
Ongoing Test Status
The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=286-20-4]
Human Toxicity Excerpts
CYCLOHEXENE OXIDE IS A CILIA TOXIC AND MUCUS COAGULATING AGENT IDENTIFIED IN AIR POLLUTANTS. /FROM TABLE/
Non-Human Toxicity Excerpts
MUTAGENICITY: MUTATION RESEARCH 87: 17 (1981). SISTER CHROMATID EXCHANGE - IN VITRO CHROMOSOMAL EFFECT STUDIES, NON-HUMAN: QUESTIONABLE.
CYCLOHEXANE OXIDE WAS INVESTIGATED USING AMES SALMONELLA TYPHIMURIUM ASSAY WITHOUT ADDN OF LIVER HOMOGENATE FRACTIONS. IT IS FOUND TO BE A WEAK MUTAGEN FOR TA100 & TA1535 STRAINS.
12 EPOXIDE COMPD WERE TESTED FOR CARCINOGENIC ACTIVITY IN RATS AFTER SC INJECTION @ MAX TOLERATED DOSES WITHOUT TOXIC OR ULCERATIVE EFFECTS. 1,2-EPOXYCYCLOHEXANE WAS INACTIVE.
CYCLOHEXENE OXIDE EXERTED DIFFERENTIAL EFFECTS ON NUCLEAR AND MICROSOMAL EPOXIDE HYDRASE WHICH WERE DEPENDENT ON SUBSTRATE AND ON THE ORGANELLE.
Toxicity Data
LCLo (rat) = 2,000 ppm/4h
REGULATORY
法规信息
Regulatory Information
Chemical: 7-Oxabicyclo[4.1.0]heptane
Status: Active Update: 20-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5629
Epoxycyclohexane: Does not have an individual approval but may be used under an appropriate group standard
PHARMACOLOGY
药理信息
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.
USES
用途与制造
Uses
Used as a chemical intermediate for epoxy resins and photoreactive polymers; [HSDB]
CHEMICAL INTERMEDIATE
CHEM INT, EG, FOR EPOXY RESINS & PHOTOREACTIVE POLYMERS
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) 6.26X10+7 GRAMS (PRINCPL CUSTMS DISTS)
(1981) No Data
U.S. Production
(1979) PROBABLY GREATER THAN 4.54X10+6 GRAMS
(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS
Methods of Manufacturing
PROBABLY BY REACTION OF CYCLOHEXENE WITH A PEROXY ACID, EG, PERACETIC ACID
Formulations/Preparations
GRADE: 98% PURE.
General Manufacturing Information
7-Oxabicyclo[4.1.0]heptane: ACTIVE
ALIASES
名称与别名
REACTIONS
参与反应
当前筛选下没有反应记录。