グルタル酸無水物
Glutaric anhydride
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基本情報
- CAS
108-55-4- 標準SMILES
O=C1CCCC(=O)O1- InChIKey
VANNPISTIUFMLH-UHFFFAOYSA-N- 分子式
- C5H6O3
- 平均分子量
- 114.1 g/mol
- 単同位体質量
- 114.03169405
概要
Glutaric anhydride is a cyclic dicarboxylic anhydride that is oxane which carries oxo groups at positions 2 and 6. It is used as an intermediate in the production of pharmaceuticals, corrosion inhibitors, and polymers (E.g. epoxy polyesters). It is a cyclic dicarboxylic anhydride and a member of oxanes. It is functionally related to a glutaric acid.
名称と識別子
- 優先名称
- Glutaric anhydride
- IUPAC
- oxane-2,6-dione
- 現地名
- グルタル酸無水物
- 英語名
- Glutaric anhydride
- 分子式
- C5H6O3
- 分子量
- 114.1
名称と別名
GLUTARIC ANHYDRIDE108-55-4Dihydro-2H-pyran-2,6(3H)-dioneoxane-2,6-dionePentanedioic anhydrideGlutaric acid anhydridePyroglutaric acid2H-Pyran-2,6(3H)-dione, dihydro-Pentanedioic acid anhydrideAnhydrid kyseliny glutaroveDTXSID504436263OFI15S80
名称をさらに表示
グルタル酸無水物無水グルタル酸ペンタン二酸無水物3,4-ジヒドロ-2H-ピラン-2,6(5H)-ジオンテトラヒドロ-2H-ピラン-2,6-ジオンジヒドロ-2H-ピラン-2,6(5H)-ジオンジヒドロ-2H-ピラン-2,6(3H)-ジオン無水グルタル酸, 98%GANGlutamic AnhydrideTETRAHYDROPYRAN-2,6-DIONEutaric anhydrideGlutaric anhydridpyroglutaricacidGlutarsureanhydrid
NSC-166402H-Pyran-2,6(3H)-dione, dihydroDTXCID3024362CHEBI:167482RefChem:143700203-593-6MFCD00006679dihydro-3H-pyran-2,6-dione
データベース識別子
- CAS
108-55-4- PubChem CID
- 7940
- DTXSID
DTXSID5044362- ChEMBL
CHEMBL3188341- ChEBI
CHEBI:167482- UNII
- 63OFI15S80
- EC Number
- 203-593-6
- Nikkaji
- J49.215I
物性
構造計算による物性補完中
- XLogP
- -0.1
- 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
- 0
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 114
実験および物理化学的性質
PolymersPlastics & Rubber -> Acid Anhydrides, Cyclic
SpringerMaterials PropertiesBoiling point
Physical Description
CBI; Dry Powder
Off-white flakes or crystals; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- 50 · 50-55 °C (lit.)
- 沸点
- 150 °C/10 · 150 °C/10 mmHg (lit.)
- 比重(密度)
- 1 · 1,411 g/cm3
- 蒸気圧
- 0.05 hPa · 0.05 hPa (50 °C)
- 屈折率
- 1.463 · 1.4630 (estimate)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- クロロホルム、酢酸エチル
- 外見
- 結晶性粉末または結晶
- 色
- ホワイトからオフホワイト
- 水溶解度
- 加水分解
- BRN
- 110051 · 110051
- InChI
- 1S/C5H6O3/c6-4-2-1-3-5(7)8-4/h1-3H2
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
This chemical does not meet GHS hazard criteria for 0.4% (1 of 270) of reports.
Danger
H302 (98.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 270 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 2H-Pyran-2,6(3H)-dione, dihydro-
2H-Pyran-2,6(3H)-dione, dihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-Pyran-2,6(3H)-dione, dihydro- 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: 27-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11130
Glutaric anhydride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes somnolence, necrotic gastrointestinal changes, and diffuse hepatitis in oral lethal-dose studies of rats; [RTECS] An irritant that may cause serious eye injury; Toxic by ingestion and skin absorption; [Alfa Aesar MSDS] See Acid Anhydrides.
Hazard Classes and CategoriesAcute Tox. 4 (98.5%)
毒性情報
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
化学と産業
用途と製造
UsesUsed to make fine chemicals; [ExPub: ECHA REACH Registrations]
U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesFragrance
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information
Not Known or Reasonably Ascertainable
2H-Pyran-2,6(3H)-dione, dihydro-: ACTIVE
応用分野
用途有機合成原料。
上流・下流製品情報
上流原料
下流製品
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