3a,4,7,7a-テトラヒドロ-3a-メチル-1,3-イソベンゾフランジオン

Methyltetrahydrophthalic anhydride

HCID 198243CAS 26590-20-5

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

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

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

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 · 2 件

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)

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 · 6 件

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 · 4 件

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 · 1 件

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 ClassificationSymbol: Xn; R: 41-42/43; S: (2)-22-24-26-37/39; Note: C
Hazard Classes and Categories · 6 件

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

Fire FightingIn case of fire in the surroundings, use appropriate extinguishing media.
First Aid Measures · 4 件

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.

Spillage DisposalPersonal protection: chemical protection suit including self-contained breathing apparatus. Collect leaking liquid in covered containers.
Eye PreventionWear face shield or eye protection in combination with breathing protection.
Fire PreventionNO open flames.
Skin PreventionProtective gloves. Protective clothing.

毒性情報

Adverse EffectsAsthma - Reversible bronchoconstriction (narrowing of bronchioles) initiated by the inhalation of irritating or allergenic agents.
Exposure RoutesThe substance can be absorbed into the body by inhalation.
Signs and Symptoms · 3 件

Cough.

Redness.

Redness.

安全データ

tsca
TSCA listed

化学と産業

用途と製造

Uses · 2 件

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

サプライヤー50 社

北京华美互利生物化工010-56205725 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]

補足説明

定義ChEBI: A cyclic dicarboxylic anhydride that is the cyclic anhydride of methyltetrahydrophthalic acid.

関連反応

1 件

関連ノート

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