基本情報
- 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
名称をさらに表示
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
- 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
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
- CSHJJWDAZSZQBT-UHFFFAOYSA-N
- SMILES
- C1(OC(=O)C2CCC=CC12C)=O
- CAS データベース
- 26590 · 26590-20-5(CAS DataBase Reference)
- NISTの化学物質情報
- Methyltetrahydrophthalic anhydride(26590-20-5)
- EPAの化学物質情報
- 1 · 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydromethyl- (26590-20-5)
化学的性質
化学的特性light yellow liquid,colorless liquid
安全と法規制
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.
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.
Hazard Classes and Categories
Skin Sens. 1 (100%)
Skin Sens. 1 (100%)
Eye damage - category 1
Eye damage - category 1
Eye Dam. 1
Eye Dam. 1
安全と保護具
First Aid Measures
Fresh air, rest.
Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention if skin irritation occurs.
Rinse with plenty of water (remove contact lenses if easily possible).
Rinse mouth.
Threshold Limit Values (TLV)
0.00007 [ppm], (TLV-SL = 0.7 mg/100 cm2)
0.0003 [ppm]
0.00007 ppm as TWA; 700 μg/100 cm
Protective Action Criteria (PAC)
0.075 [mg/m3]
83 [mg/m3]
500 [mg/m3]
毒性情報
Signs and Symptoms
Cough.
Redness.
Redness.
安全データ
- tsca
- TSCA listed
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]
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補足説明
定義ChEBI: A cyclic dicarboxylic anhydride that is the cyclic anhydride of methyltetrahydrophthalic acid.
関連反応
関連ノート
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