기본 정보
- 표준 SMILES
C1CCC2OC2C1- InChIKey
ZWAJLVLEBYIOTI-UHFFFAOYSA-N- 분자식
- C6H10O
- 평균 분자량
- 98.14 g/mol
- 단동위원소 질량
- 98.07316494
이름 및 식별자
- 우선 이름
- Cyclohexene oxide
- IUPAC
- 7-oxabicyclo[4.1.0]heptane
- 현지명
- 사이클로헥센옥사이드
- 영어명
- Cyclohexene oxide
- 분자식
- C6H10O
- 분자량
- 98.14
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
286-20-4- PubChem CID
- 9246
- DTXSID
DTXSID6024880- ChEMBL
CHEMBL1361659- EC Number
- 206-007-7
- Nikkaji
- J2.980G
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 12.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 70
실험 및 물리화학적 성질
Solubility
SOL IN ALC, ETHER, ACETONE; INSOL IN WATER
VERY SOL IN BENZENE; SOL IN CHLOROFORM
물리화학적 성질
- 녹는점
- -40 °C · -40 °C
- 끓는 점
- 129 · 129-130 °C(lit.)
- 밀도
- 0.97 g/mL · 0.97 g/mL at 25 °C(lit.)
- 증기압
- 12 hPa · 12 hPa (20 °C)
- 굴절률
- 20 · n20/D 1.452(lit.)
- 인화점
- 81 °F · 81 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 물리적 상태
- 액체
- 색상
- 무색~황색으로 투명함
- 폭발한계
- 1.2 · 1.2-6.5%(V)
- 수용성
- 불용성
- BRN
- 383568 · 383568
- InChI
- 1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2
- InChIKey
- ZWAJLVLEBYIOTI-UHFFFAOYSA-N
- SMILES
- C1CCC2OC2C1
- NIST
- Cyclohexene oxide(286-20-4)
- EPA
- Cyclohexene oxide (286-20-4)
화학적 성질
clear colorless to yellow liquid
안전 및 규제
GHS 분류
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.
유해성 정보
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
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
독성 정보
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]
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.
규제 정보
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
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- RN7175000
- ridadr
- UN 2924 3/PG 3
- 독성
- LD50 orally in Rabbit: 1060 mg/kg LD50 dermal Rabbit 612 mg/kg
- HS 번호
- 29109000
- risk_code
- 10-20/21/22-34
- hazard_code
- C
- safety_code
- 26-36/37/39-45-16
- 포장분류
- II
- 위험 등급
- 8
- 기존화학 물질
- KE-27440
- 자연 발화 온도
- 703 °F
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Muta. 2Skin Corr. 1B
- 스토리지 클래스
- 3 - Flammable liquids
- 유해 물질 데이터
- 286-20-4(Hazardous Substances Data)
화학 및 산업
약리 정보
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.
용도 및 제조
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
응용 분야
용도Cyclohexene oxide has been patented for use as an insecticidal fumigant. Cyclohexene oxide is an important intermediate in the organic industry. It is employed in the manufacture of medicines, pesticides, dyes, and perfumes. In addition, cyclohexene oxide can be used as a monomer in polymerization, chain-cutting agent, flame retardant and diluting agent among other uses. Cyclohexene oxide is useful as a monomer in polymerization with CO2 for production of cyclic carbonates and polycarbonates in the presence of different catalysts.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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