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Methylhexahydrophthalic anhydride

HCID 178809162
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
95032-44-3
標準SMILES
CC12CCCCC1C(=O)OC2=O
InChIKey
VYKXQOYUCMREIS-UHFFFAOYSA-N
分子式
C9H12O3
平均分子量
168.19 g/mol

概要

Methylhexahydrophthalic anhydride is a cyclic dicarboxylic anhydride that is the cyclic anhydride of methylhexahydrophthalic acid. It has a role as an allergen and a curing agent. It is a cyclic dicarboxylic anhydride and a tetrahydrofurandione.

名称と識別子

優先名称
Methylhexahydrophthalic anhydride
IUPAC
7a-methyl-4,5,6,7-tetrahydro-3aH-2-benzofuran-1,3-dione
英語名
3a-methyl-5,6,7,7a-tetrahydro-4H-isobenzofuran-1,3-dione
分子式
C9H12O3
分子量
0

名称と別名

Methylhexahydrophthalic anhydride25550-51-048122-14-1MHHPAHexahydro-1-methylphthalic anhydrideHexahydro-3a-methyl-1,3-isobenzofurandioneEINECS 256-356-4Hexahydromethylphthalic anhydrideCHEBI:554613a-methylhexahydro-2-benzofuran-1,3-dioneEINECS 247-094-1hexahydromethyl-1,3-isobenzofurandione
名称をさらに表示
1,2-Cyclohexanedicarboxylic anhydride, methyl-7a-methyl-4,5,6,7-tetrahydro-3aH-2-benzofuran-1,3-dione3a-methyl-5,6,7,7a-tetrahydro-4H-isobenzofuran-1,3-dione
1,3-Isobenzofurandione, hexahydromethyl-methyl-1,2-cyclohexanedicarboxylic anhydrideDTXSID70964009EC 247-094-1RefChem:818620DTXSID1029330DTXCID208572101,3Isobenzofurandione, hexahydromethyl

データベース識別子

CAS
95032-44-3
ChEBI
CHEBI:55461
EC Number
247-094-1、256-356-4
Nikkaji
J319.971A

物性

構造計算による物性

XLogP
1.5
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
246

実験および物理化学的性質

PolymersPlastics & Rubber -> Acid Anhydrides, Cyclic
Density · 2 件

1.15 g/cm³

Relative density of the vapour/air-mixture at 20 °C (air = 1): 5.81

SolubilitySolubility in water at 20 °C: reaction
Flash Point145 °C
Boiling Point290 °C
Melting Point-29 °C
Vapor Pressure · 2 件

0.007 [mmHg]

Vapor pressure, Pa at 20 °C: 1

Physical Description · 3 件

Liquid

Colorless liquid; [ICSC] Clear liquid; Irritating odor when hot; [Dixie Chemical MSDS]

COLOURLESS LIQUID.

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 · 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 · 6 件

Chemical: 1,3-Isobenzofurandione, hexahydromethyl-

Hazard Traits - Respiratory Toxicity

Hazard Traits - Respiratory Toxicity

1,3-Isobenzofurandione, hexahydromethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Isobenzofurandione, hexahydromethyl- 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: 13-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16115

Substance: Hexahydromethylphthalic anhydride

Fire HazardsCombustible. Gives off irritating or toxic fumes (or gases) in a fire.
Hazards Summary · 1 件

Slowly decomposed by water forming acids; A skin and severe eye irritant; May cause skin and respiratory sensitization; [ICSC] Cyclic acid anhydrides can cause irritation and sensitization by dermal, mucous membrane, and inhalation from occupational exposure; The most common allergic diseases reported are rhinoconjunctivitis and asthma, allergic contact dermatitis is rare; [Reference #1] Reacts slowly with water; May cause severe eye irritation, corneal injury, and burns; Prolonged skin contact may cause severe irritation and burns; May cause skin and respiratory sensitization; Chronic inhalation exposure may cause bronchitis and asthma; [Dixie Chemical MSDS] See ACID ANHYDRIDES. See Hexahydrophthalic anhydride.

化学と産業

用途と製造

Uses · 2 件

Cyclic acid anhydrides: Used to make polyester and alkyd resins, plasticizers, and as epoxy resin hardeners; [Reference #1]

Plastic Composites Manufacturing [Category: Industry]

U.S. Production2023: 6,762,247 lb
Industry UsesIntermediate
General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

1,3-Isobenzofurandione, hexahydromethyl-: ACTIVE

関連反応

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化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
EC ClassificationNote: C; Symbol: Xn; R: 41-42/43; S: (2)-22-24-26-37/39
Chemical DangersDecomposes slowly on contact with water. This produces acid. Reacts with acids, alcohols, bases and oxidants.
Hazard Classes and Categories · 6 件

Skin Sens. 1 (100%)

Skin Sens. 1 (100%)

Eye damage - category 1

Eye damage - category 1

Respiratory sensitization - Category 1A

Eye Dam. 1

安全と保護具

Fire FightingUse water spray, foam, powder, carbon dioxide.
First Aid Measures · 4 件

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Refer for medical attention .

Safe StorageSeparated from food and feedstuffs. Dry.
Spillage DisposalPersonal protection: complete protective clothing including self-contained breathing apparatus. Collect leaking and spilled liquid in covered containers as far as possible.
Eye PreventionWear face shield or eye protection in combination with breathing protection.
Fire PreventionNO open flames.
Inhalation RiskEvaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly on spraying.
Skin PreventionProtective gloves. Protective clothing.
Exposure PreventionAVOID ALL CONTACT!
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse ventilation, local exhaust or breathing protection.
Effects of Long Term ExposureRepeated or prolonged contact may cause skin sensitization. Repeated or prolonged inhalation may cause asthma.

毒性情報

Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesThe substance can be absorbed into the body by inhalation and by ingestion.
Signs and Symptoms · 4 件

Cough. Wheezing.

Redness.

Redness. Pain.

Abdominal pain. Diarrhoea.