(+/-)-헥사히드로-4-메틸프탈린 무수물
(+/-)-헥사히드로-4-메틸프탈린무수물 · (+/-)-헥사히드로-4-메틸프탈린무수물((+/-)-HEXAHYDRO-4-METHYLPHTHALICANH... · MHHPA · 4-MHHPA · 5-Methylhexahydroisobenzofuran-1,3-dione · Rikacid MH · Hexahydro-4-methyL · HEXAHYDRO-4-METHYLPHTH
식별자 및 물리적 특성
| CAS No. | 19438-60-9 |
|---|---|
| 분자식 | C9H12O3 |
| 평균 분자량 | 168.19 g/mol |
| 단동위원소 질량 | 168.07864424 g/mol |
| SMILES | CC1CCC2C(=O)OC(=O)C2C1 |
| InChIKey | FKBMTBAXDISZGN-UHFFFAOYSA-N |
| PubChem CID | 86876 |
| EC No. | 243-072-0 |
| DTXSID | DTXSID8044333 |
| 현지명 | (+/-)-헥사히드로-4-메틸프탈린 무수물 |
화학 및 물리적 성질
| XLogP | 1.4 |
|---|---|
| 극성 표면적 | 43.4 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 234 |
| LogP(분배 계수) | 2.1 |
| 밀도 | Relative density (water = 1): 1.161.162 g/mL at 25 °C(lit.) |
| 용해도 | Solubility in water, g/l at 20 °C: 8.4 (reaction)클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨) |
| 인화점 | 160 °C c.c.>230 °F |
| 끓는 점 | 296 °C120°C (1 mmHg) |
| 녹는점 | -29 °C-29°C |
| 증기 밀도 | Relative vapor density (air = 1): 5.8 |
| 증기압 | Vapor pressure, Pa at 25 °C: 0.230.23Pa at 25℃ |
| Physical Description | Large CrystalsLiquidCOLOURLESS OILY LIQUID. |
| 자연 발화 온도 | 430 °C |
| 굴절률 | n20/D 1.477(lit.) |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 4.24[at 20 ℃] |
| 색상 | 투명한 |
| 용해도 | 물과 반응 |
| 안정성 | 흡습성, 수분 민감성 |
| InChI | 1S/C9H12O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h5-7H,2-4H2,1H3 |
| InChIKey | FKBMTBAXDISZGN-UHFFFAOYSA-N |
| SMILES | CC1CCC2C(C1)C(=O)OC2=O |
| LogP(분배 계수) | -3.95 at 20℃ |
| EPA | 1,3-Isobenzofurandione, hexahydro-5-methyl- (19438-60-9) |
화학적 성질
Hexahydro-4-methylphthalic anhydride has a melting point of 29 °C, so it is a liquid at room temperature. It has a boiling point of 120 °C and at 25 °C its density is 1.162 g/mL.
안전 및 규제
| GHS 분류 | DangerH317: May cause an allergic skin reaction [Warning Sensitization, Skin]H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]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) |
|---|---|
| 규제 정보 | Chemical: 1,3-Isobenzofurandione, hexahydro-5-methyl-Hazard Traits - Respiratory ToxicityAuthoritative List - EC Annex VI Resp. Sens. - Cat. 1Report - if used as a fragrance or flavor ingredient1,3-Isobenzofurandione, hexahydro-5-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Isobenzofurandione, hexahydro-5-methyl- 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: 17-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13532Substance: Hexahydro-4-methylphthalic anhydrideEC: 243-072-0Date of inclusion: >19-Dec-2012Reason for inclusion: Respiratory sensitising properties (Article 57(f) - human health)1,3-Isobenzofurandione, hexahydro-5-methyl-: 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. |
| 기타 안전 정보 | IMAP assessments - Hexahydromethylphthalic anhydride (MHHPA): Human health tier II assessment |
| 화재 위험 | Combustible. |
| Chemical Dangers | Reacts with water. This produces heat and acid. |
| Hazard Classes and Categories | Skin Sens. 1 (100%)Eye Dam. 1 (98.9%)Resp. Sens. 1 (100%)Eye damage - category 1Respiratory sensitisation - category 1Skin sensitisation - category 1 |
| 소화 |
용도
개요
Methylhexahydrophthalic anhydride (MHHP A) is an epoxy hardener, irritant to skin and mucus membranes. It is included in non-diglycidyl-ether-of-bisphenol- A epoxy resins. It can induce both allergic contact dermatitis and immunologic contact urticaria. MHHP A is structurally close to methyltetrahydrophthalic anhydride (MTHP A), which can also cause sensitization.
용도
Hexahydro-4-methylphthalic anhydride, mixture ofcisandtrans may be used as an analytical standard for the determination of the analyte in human biological samples by gas chromatography-mass spectrometry (GC-MS).
일반 설명
Methylhexahydrophthalic anhydride, a congener of phthalic anhydride, is utilized in the production of plastics, paints, and electronic components. It can potentially result in allergenic effects on humans upon exposure and cause immunological reactions.