Hexahydro-4-methylphthalic anhydride (HCID 86876)

이름 및 식별자

우선 이름: Hexahydro-4-methylphthalic anhydride
IUPAC: 5-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
현지명: (+/-)-헥사히드로-4-메틸프탈린 무수물
영어명: Hexahydro-4-methylphthalic anhydride
분자식: C9H12O3
분자량: 168.19

이름 및 동의어

Hexahydro-4-methylphthalic anhydrideDTXSID8044333RefChem:786152DTXCID409330Hexahydro-5-methyl-1,3-isobenzofurandione4-Methylcyclohexane-1,2-dicarboxylic acid anhydride243-072-019438-60-95-Methylhexahydroisobenzofuran-1,3-dione1,3-Isobenzofurandione, hexahydro-5-methyl-4-methylhexahydrophthalic anhydride4-Methyl-1,2-cyclohexanedicarboxylic anhydride

이름 더 보기

(+/-)-헥사히드로-4-메틸프탈린무수물(+/-)-헥사히드로-4-메틸프탈린무수물((+/-)-HEXAHYDRO-4-METHYLPHTHALICANH...MHHPA4-MHHPARikacid MHHexahydro-4-methyLHEXAHYDRO-4-METHYLPHTHMethylaexahydrophthalic Anhydridemethyl hexahydrophtalic anhydride5-Methylhexahydrophthalicanhydride4-Methylhexahydrohthalic anhydride

MFCD000059275-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione4-Methylcyclohexane-1,2-dicarboxylic Anhydride4- methylhexahydrophthalic anhydrideMethylhexahydrophthalic anhydride(MHHPA)4- Methylhexahydrophthalic anhydride(4-MHHPA);5-Methylhexahydroisobenzofuran-1,3-dione5-Methyl hexahydro-1,3-isobenzofurandioneNSC-128883

데이터베이스 식별자

CAS: 19438-60-9
PubChem CID: 86876
DTXSID: DTXSID8044333
EC Number: 243-072-0
Nikkaji: J147.413H

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 234

실험 및 물리화학적 성질

LogP2.1

DensityRelative density (water = 1): 1.16

SolubilitySolubility in water, g/l at 20 °C: 8.4 (reaction)

Flash Point160 °C c.c.

Boiling Point296 °C

Melting Point-29 °C

물리화학적 성질

녹는점: -29 °C · -29°C
끓는 점: 120 °C · 120°C (1 mmHg)
밀도: 1.162 g/mL · 1.162 g/mL at 25 °C(lit.)
증기압: 0.23 Pa · 0.23Pa at 25℃
굴절률: 20 · n20/D 1.477(lit.)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): 4.24 · 4.24[at 20 ℃]
색상: 투명한
수용성: 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: -3.95 at · -3.95 at 20℃
EPA: 1 · 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

GHS Classification · 6건

Danger

H317: 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)

Danger

유해성 정보

Regulatory Information · 6건

Chemical: 1,3-Isobenzofurandione, hexahydro-5-methyl-

Hazard Traits - Respiratory Toxicity；Authoritative List - EC Annex VI Resp. Sens. - Cat. 1；Report - if used as a fragrance or flavor ingredient

1,3-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/13532

Substance: Hexahydro-4-methylphthalic anhydride；EC: 243-072-0；Date of inclusion: >19-Dec-2012；Reason 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.

Other Safety InformationIMAP assessments - Hexahydromethylphthalic anhydride (MHHPA): Human health tier II assessment

Fire HazardsCombustible.

Chemical DangersReacts with water. This produces heat and acid.

Hazard Classes and Categories · 3건

Skin Sens. 1 (100%)；Eye Dam. 1 (98.9%)；Resp. Sens. 1 (100%)

Eye damage - category 1；Respiratory sensitisation - category 1；Skin sensitisation - category 1

Eye Dam. 1；Resp. Sens. 1；Skin Sens. 1

안전 및 보호

Fire FightingUse water spray, powder, foam, carbon dioxide.

First Aid Measures · 4건

Fresh air, rest. Refer for medical attention.

Wear protective gloves when administering first aid. Remove contaminated clothes. Rinse skin with plenty of water or shower.

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

Rinse mouth. Do NOT induce vomiting. Give one or two glasses of water to drink. Refer for medical attention .

Safe StorageDry. Well closed. Store only in original container.

Spillage Disposal · 1건

Personal protection: chemical protection suit including self-contained breathing apparatus, face shield and protective gloves. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Eye PreventionWear safety goggles or eye protection in combination with breathing protection.

Fire PreventionNO open flames.

독성 정보

Exposure RoutesThe substance can be absorbed into the body by inhalation of its aerosol.

Signs and Symptoms · 4건

Cough. Sore throat. Wheezing. Shortness of breath.

Redness. Burning sensation.

Redness. Pain. Blurred vision.

Burning sensation. Abdominal pain.

규제 정보

Regulatory Information · 6건

Chemical: 1,3-Isobenzofurandione, hexahydro-5-methyl-

Hazard Traits - Respiratory Toxicity；Authoritative List - EC Annex VI Resp. Sens. - Cat. 1；Report - if used as a fragrance or flavor ingredient

1,3-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/13532

Substance: Hexahydro-4-methylphthalic anhydride；EC: 243-072-0；Date of inclusion: >19-Dec-2012；Reason 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.

안전 데이터

wgk: 1
tsca: TSCA listed
HS 번호: 29172090
risk_code: 41-42/43
hazard_code: Xn
safety_code: 22-24-26-37/39
기존화학 물질: KE-18587
위험 참고 사항: Irritant
Hazard Classifications: Eye Dam. 1Resp. Sens. 1Skin Sens. 1
스토리지 클래스: 10 - Combustible liquids
중점관리물질 필터링: 별표1-178

화학 및 산업

용도 및 제조

U.S. Production2023: 1,000,000 - <5,000,000 lb；2022: 1,000,000 - <5,000,000 lb；2021: 1,000,000 - <5,000,000 lb；2020: 1,000,000 - <5,000,000 lb

Consumer UsesDispersing agent；pH regulating agent；Hardener；Chelating agent

Industry UsespH regulating agent；Dispersing agent；Hardener；Chelating agent；Intermediate

General Manufacturing Information · 2건

Non-metallic Mineral Product Manufacturing (includes clay, glass, cement, concrete, lime, gypsum, and other non-metallic mineral product manufacturing)；Plastics Material and Resin Manufacturing；Electrical Equipment, Appliance, and Component Manufacturing；Utilities

1,3-Isobenzofurandione, hexahydro-5-methyl-: ACTIVE

응용 분야 · 3건

개요Methylhexahydrophthalic 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.

용도Hexahydro-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 설명Methylhexahydrophthalic 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.