기본 정보
- 표준 SMILES
CC12CCCCC1C(=O)OC2=O- InChIKey
VYKXQOYUCMREIS-UHFFFAOYSA-N- 분자식
- C9H12O3
- 평균 분자량
- 168.19 g/mol
- 단동위원소 질량
- 168.07864424
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
- 헥사히드로-1-메틸프탈산무수물
- 영어명
- hexahydro-1-methylphthalic anhydride
- 분자식
- C9H12O3
- 분자량
- 168.19
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
25550-51-0、48122-14-1- PubChem CID
- 3016472
- DTXSID
DTXSID70964009- ChEBI
CHEBI:55461- EC Number
- 247-094-1、256-356-4
- Nikkaji
- J319.971A
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
Density
1.15 g/cm³
Relative density of the vapour/air-mixture at 20 °C (air = 1): 5.81
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.
물리화학적 성질
- 끓는 점
- 289.9 · 289.9±9.0 °C(Predicted)
- 밀도
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- 용해도
- 클로로포름 (약간 용해됨), DMSO (약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 안정성
- 수분에 민감한
안전 및 규제
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
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.
Hazard Classes and Categories
Skin Sens. 1 (100%)
Skin Sens. 1 (100%)
Eye damage - category 1
Eye damage - category 1
Respiratory sensitization - Category 1A
Eye Dam. 1
안전 및 보호
First Aid Measures
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 .
독성 정보
Signs and Symptoms
Cough. Wheezing.
Redness.
Redness. Pain.
Abdominal pain. Diarrhoea.
안전 데이터
- 중점관리물질 필터링
- 별표2-356
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]
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,3-Isobenzofurandione, hexahydromethyl-: ACTIVE
응용 분야
용도Hexahydro-4-methylphthalic Anhydride, can be used in the mixture of other isomers nanofiber supported 3D interconnected BN nanosheets for epoxy nanocomposites with ultrahigh thermal management capability
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