メチルテトラヒドロフタル酸 無水物
Methyltetrahydrophthalic anhydride
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基本情報
- CAS
26590-20-5- 標準SMILES
CC12CC=CCC1C(=O)OC2=O- InChIKey
SOOZEQGBHHIHEF-UHFFFAOYSA-N- 分子式
- C9H10O3
- 平均分子量
- 166.17 g/mol
- 単同位体質量
- 166.06299418
概要
Methyltetrahydrophthalic anhydride is a cyclic dicarboxylic anhydride that is the cyclic anhydride of methyltetrahydrophthalic acid. It has a role as an allergen. It is a cyclic dicarboxylic anhydride and a tetrahydrofurandione.
名称と識別子
- 優先名称
- Methyltetrahydrophthalic anhydride
- IUPAC
- 7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione
- 現地名
- メチルテトラヒドロフタル酸 無水物
- 英語名
- Methyltetrahydrophthalic anhydride
- 分子式
- C9H10O3
- 分子量
- 166.17
名称と別名
1,2,3,6-Tetrahydromethylphthalic anhydrideMTHPALindride1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydromethyl-CHEBI:55466AC 220JMeTHPARefChem:818707247-830-126590-20-5Methyl tetrahydrophthalic anhydrideMethyltetrahydrophthalic anhydride
名称をさらに表示
メチル-5-シクロヘキセン-2,3-ジカルボン酸無水物メチル-1,2,3,6-テトラヒドロフタル酸無水物メチルテトラヒドロ無水フタル酸メチル-4-シクロヘキセン-1,2-ジカルボン酸無水物4メチル-δ-テトラヒドロフタル酸水物メチルテトラヒドロフタル酸 無水物メチルシクロヘキセン-1,2-ジカルボン酸 無水物１,２,３,６-テトラヒドロメチル無水フタル酸ac220isomethyltetrahydrophthalic anhydrideAC 2204-MTHPAMTHPA-600Methyltetrahyhedrophthalic Anhydride3-METHYL-DELTA4-TETRAHYDROPHTHALIC ANHYDRIDE4-METHYL-4-CYCLOHEXENE-1,2-DICARBOXYLIC ANHYDRIDEac220j
42498-58-83a-Methyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione2,3,5,6-Tetrahydro-2-methylphthalic anhydride3a-methyl-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dioneMethy tetra-Hydro Phthalic Anhydride3a-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dioneMethy tetra-Hydro Phthalic Anhydride(MTHPA)
データベース識別子
- CAS
26590-20-5、42498-58-8- PubChem CID
- 198243
- DTXSID
DTXSID40962532- ChEBI
CHEBI:55466- EC Number
- 247-830-1、255-853-3
- Nikkaji
- J169.052C
物性
構造計算による物性補完中
- XLogP
- 1.1
- 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
- 12
- 形式電荷
- 0
- 複雑度
- 279
実験および物理化学的性質
PolymersPlastics & Rubber -> Acid Anhydrides, Cyclic
Density1.20 @25 °C
Flash Point350 °C
Boiling Point124 °C
Melting Point-29 °C
Physical Description
Liquid; [ICSC]
OILY LIQUID.
物理化学的性質
- 融点
- 63 · 63-64 °C
- 沸点
- 254.38 °C · 254.38°C (rough estimate)
- 比重(密度)
- 1.1708 · 1.1708 (rough estimate)
- 屈折率
- 1.55 · 1.5500 (estimate)
- 貯蔵温度
- -20 °C · -20°C Freezer
- 溶解性
- DMSO（微量）、メタノール（微量）
- 外見
- 個体
- 色
- 白い
- InChI
- InChI=1S/C9H10O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h3,5-6H,2,4H2,1H3
- InChIKey
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
Danger
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Danger
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydromethyl-
Hazard Traits - Respiratory Toxicity
Hazard Traits - Respiratory Toxicity
1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydromethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Tetrahydrophthalic anhydrides and analogues: Human health tier II assessment
Fire HazardsCombustible.
Hazards Summary
Occupational asthma reported in workers curing epoxy resins; [Malo] [Tarvainen K, et al. Immunologic contact urticaria due to airborne methylhexahydrophthalic and methyltetrahydrophthalic anhydrides. Contact Dermatitis. 1995 Apr;32(4):204-9.] Prolonged or repeated exposure may cause asthma and contact urticaria; [ICSC] Causes asthma, rhinitis, allergic conjunctivitis, and rarely, allergic urticaria; A surface limit (TLV-SL) of 0.7 mg/100 cm2 is recommended to protect against induction of respiratory sensitization from skin contact with workplace surfaces. [ACGIH] See ACID ANHYDRIDES.
EC Classification
化学と産業
用途と製造
Uses
Exposures have been reported in workers applying polyester resin glues and curing epoxy and alkyl resins; [NIOSHTIC] Used as a hardener in epoxy resin systems; [ChemIDplus]
Working with Glues and Adhesives [Category: Other]
General Manufacturing Information1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydromethyl-: ACTIVE
補足説明
定義ChEBI: A cyclic dicarboxylic anhydride that is the cyclic anhydride of methyltetrahydrophthalic acid.
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