기본 정보
- CAS
95032-44-3- 표준 SMILES
CC12CCCCC1C(=O)OC2=O- InChIKey
VYKXQOYUCMREIS-UHFFFAOYSA-N- 분자식
- C9H12O3
- 평균 분자량
- 168.19 g/mol
개요
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.
이름 및 식별자
- 우선 이름
- Methylhexahydrophthalic anhydride
- IUPAC
- 7a-methyl-4,5,6,7-tetrahydro-3aH-2-benzofuran-1,3-dione
- 현지명
- 3a-메틸-5,6,7,7a-테트라히드로-4H-이소벤조푸란-1,3-디온
- 영어명
- 3a-methyl-5,6,7,7a-tetrahydro-4H-isobenzofuran-1,3-dione
- 분자식
- C9H12O3
- 분자량
- 0
이름 및 동의어
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
이름 더 보기
3a-메틸-5,6,7,7a-테트라히드로-4H-이소벤조푸란-1,3-디온1,2-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
데이터베이스 식별자
- CAS
95032-44-3- ChEBI
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 246
실험 및 물리화학적 성질
PolymersPlastics & Rubber -> Acid Anhydrides, Cyclic
Density
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
0.007 [mmHg]
Vapor pressure, Pa at 20 °C: 1
Physical Description
Liquid
Colorless liquid; [ICSC] Clear liquid; Irritating odor when hot; [Dixie Chemical MSDS]
COLOURLESS LIQUID.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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)
유해성 정보
Regulatory Information
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
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.
화학 및 산업
용도 및 제조
Uses
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
All Other Basic Organic Chemical Manufacturing
1,3-Isobenzofurandione, hexahydromethyl-: ACTIVE
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