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基本情報
- CAS
42482-06-4- 標準SMILES
CCCCCC=CCC1CC(=O)OC1=O- InChIKey
WSGFXVFLWVXTCJ-UHFFFAOYSA-N- 分子式
- C12H18O3
- 平均分子量
- 210.27 g/mol
- 単同位体質量
- 210.12559443
名称と識別子
- 優先名称
- 2-Octenylsuccinic anhydride
- IUPAC
- 3-oct-2-enyloxolane-2,5-dione
- 現地名
- 2-オクテニルこはく酸無水物 (cis-, trans-混合物)
- 英語名
- 2-Octen-1-ylsuccinic anhydride, mixture of cis and trans
- 分子式
- C12H18O3
- 分子量
- 210.27
名称と別名
2-Octen-1-ylsuccinic anhydrideDTXSID8041373DTXCID6021373667AA732U9RefChem:4773112,5-Furandione, dihydro-3-(2-octen-1-yl)-2,5-Furandione, dihydro-3-(2-octenyl)-2-Octenylsuccinic anhydride42482-06-43-oct-2-enyloxolane-2,5-dioneOSAoct-2-enylsuccinic anhydride
名称をさらに表示
2-オクテニルこはく酸無水物 (cis-, trans-混合物)2-オクテニルこはく無水物2-Octenylsuccinic Anhydride Dihydro-3-(2-Octen-1-Yl)-2,5-Furandione3-(Oct-2-en-1-yl)dihydrofuran-2,5-dione3-[(2E)-oct-2-en-1-yl]dihydrofuran-2,5-dione2-Octen-1-ylsuccinic anhydride, mixture of cis2-OctenylsuccinicAnhydride(cis-andtrans-mixture)>2-Octenylsuccinic Anhydride (cis- and trans- mixture)2-Octenylsuccinic anhydride，mixture of cis- and trans-2-octen-1-ylsuccinic anhydride, mixture of cis and trans
SCHEMBL33490orb3177771CHEMBL31880193-oct-2-enyldihydrofuran-2,5-dione3-oct-2-enyltetrahydrofuran-2,5-dione3-(OCT-2-EN-1-YL)OXOLANE-2,5-DIONE2-Octen-1-ylsuccinicanhydride,mixtureofcisandtrans2-octen-1-ylsuccinic anhydride, mixture of cis and trans;2-Octenylsuccinic Anhydride (cis- and trans- mixture);2-Octenylsuccinic Anhydride 2,5-Furandione, dihydro-3-(2-octen-1-yl)-;2-Octen-1-ylsuccinic anhydride, Mixture of cis and trans 97%
データベース識別子
- CAS
42482-06-4- PubChem CID
- 534543
- DTXSID
DTXSID8041373- ChEMBL
CHEMBL3188019- EC Number
- 629-679-7
物性
構造計算による物性補完中
- XLogP
- 3
- 極性表面積
- 43.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 6
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 256
実験および物理化学的性質
Physical DescriptionLiquid
物理化学的性質
- 融点
- 8 · 8-12°C (lit.)
- 比重(密度)
- 1 g/mL · 1 g/mL at 25 °C(lit.)
- 蒸気圧
- 43.5 Pa · 43.5Pa at 20℃
- 屈折率
- 20 · n20/D1.4694(lit.)
- 闪点
- 113 ℃ · 113℃
- 外見
- Viscous
- 色
- Colorless to Almost colorless
- 沸点
- 168 °C/10 · 168°C/10 mmHg(lit.)
- InChI
- InChI=1S/C12H18O3/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h6-7,10H,2-5,8-9H2,1H3
- InChIKey
- WSGFXVFLWVXTCJ-UHFFFAOYSA-N
- SMILES
- O1C(=O)CC(CC=CCCCCC)C1=O
- LogP
- 4.68 at · 4.68 at 22℃ and pH7
- EPAの化学物質情報
- 2 · 2,5-Furandione, dihydro-3-(2-octenyl)- (42482-06-4)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.
危険有害性情報
Regulatory Information
2,5-Furandione, dihydro-3-(2-octen-1-yl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,5-Furandione, dihydro-3-(2-octen-1-yl)- 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)
Status: Active Update: 01-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5481
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)
法規制情報
Regulatory Information
2,5-Furandione, dihydro-3-(2-octen-1-yl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,5-Furandione, dihydro-3-(2-octen-1-yl)- 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)
化学と産業
用途と製造
U.S. Production2023: 5,000,000 - <10,000,000 lb；2022: 1,000,000 - <5,000,000 lb；2021: 1,000,000 - <5,000,000 lb；2020: 1,000,000 - <5,000,000 lb
Industry UsesSizing agent；Corrosion inhibitor；Intermediate
General Manufacturing Information
Other (requires additional information)；Paper Manufacturing；Fabricated Metal Product Manufacturing
2,5-Furandione, dihydro-3-(2-octen-1-yl)-: ACTIVE
応用分野
使用2-Octen-1-ylsuccinic anhydride, mixture of cis and trans can be used in food hydrocolloids.
使用2-Octen-1-ylsuccinic anhydride, mixture of cis and trans can be used as a structural unit in organic synthesis for the manufacture of polyesters, polyurethanes and other polymers. In addition, it is used in the synthesis of surfactants, emulsifiers and other surfactant systems.
サプライヤー100 社
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
山东泰诚生物科技有限公司18769832557 18769832557 · [email protected]
广州佳途科技股份有限公司
関連反応
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化合物ノート
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