基本情報
- CAS
2386-87-0- 標準SMILES
O=C(OCC1CCC2OC2C1)C1CCC2OC2C1- InChIKey
YXALYBMHAYZKAP-UHFFFAOYSA-N- 分子式
- C14H20O4
- 平均分子量
- 252.31 g/mol
- 単同位体質量
- 252.13615911
名称と識別子
- 優先名称
- UT-632
- IUPAC
- 7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
- 英語名
- 3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexane carboxylate
- 分子量
- 0
名称と別名
2386-87-03,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylateChissonox 221 monomerERL-4221UT-632HSDB 58733,4-EPOXYCYCLOHEXYLMETHYL-3,4-EPOXYCYCLOHEXANECARBOXYLATE3,4-Epoxycyclohexanecarboxylic acid (3,4-epoxycyclohexylmethyl) ester(3,4-Epoxycyclohexyl)methyl 3,4-epoxycyclohexylcarboxylate3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexane carboxylateEINECS 219-207-4CCRIS 8882
名称をさらに表示
BRN 1381750UVA 1500 MONOMER3,4-Epoxycyclohexanemethyl 3,4-epoxycyclohexanecarboxylate7-Oxabicyclo(4.1.0)hept-3-ylmethyl 7-oxabicyclo(4.1.0)heptane-3-carboxylate7-Oxabicyclo(4.1.0)heptane-3-carboxylic acid, 7-oxabicyclo(4.1.0)hept-3-ylmethyl esterEC 219-207-47-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester37042-87-8
データベース識別子
- CAS
2386-87-0、25085-98-7、37042-87-8- PubChem CID
- 16949
- DTXSID
DTXSID2027466- ChEMBL
CHEMBL2143072- UNII
- S224DEL3P4
- EC Number
- 219-207-4、609-326-3
- Nikkaji
- J42.541I
物性
構造計算による物性
- XLogP
- 1.5
- 極性表面積
- 51.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 4
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 356
実験および物理化学的性質
PolymersPlastics & Rubber -> Glycidyl Ethers
Physical Description
Liquid
Liquid; [MSDSonline]
Collision Cross Section158.0 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2027466]
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P260, P261, P272, P280, P302+P352, P318, P319, P321, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 1.2% (11 of 884) of reports.
Warning
H317 (98.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]
危険有害性情報
Regulatory Information
Chemical: 7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester
7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 7-oxabicyclo[4.1.0]hept-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate (EC: 219-207-4)
7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Epoxidised cycloaliphatic olefins: Human health tier II assessment
Hazards Summary
An eye and mild skin irritant; May cause skin sensitization; [eChemPortal: ERMA] Danger of skin sensitization; [MAK] Oral LD50 (rat) = 4490 mg/kg; [RTECS] An irritant; May cause skin sensitization; Targets the liver and kidneys; [MSDSonline]
Hazard Classes and Categories
Skin Sens. 1 (98.8%)
Carcinogenicity - category 2
Skin sensitization - Category 1B
化学と産業
用途と製造
Uses
Used as a stabilizer for organophosphorus insecticides and a reactive diluent for epoxy resins; No known commercial production in the US; [HSDB]
Farming (Pesticides) [Category: Industry]
STABILIZER FOR ORGANOPHOSPHORUS INSECTICIDES
REACTIVE DILUENT FOR EPOXY RESINS
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
2023: 1,000,000 - <5,000,000 lb
(1979) NO EVIDENCE OF COMMERCIAL PRODN IN U.S.
(1981) NO EVIDENCE OF COMMERCIAL PRODN IN U.S.
Industry UsesMonomers
General Manufacturing Information
Oil and Gas Drilling, Extraction, and Support activities
7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester: ACTIVE
サプライヤー100 社
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
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