Hexahydro-4-methylphthalic anhydride (HCID 86876)

名称と識別子

優先名称: Hexahydro-4-methylphthalic anhydride
IUPAC: 5-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
現地名: 4-メチルシクロヘキサン-1,2-ジカルボン酸無水物
英語名: Hexahydro-4-methylphthalic anhydride
分子式: C9H12O3
分子量: 168.19

名称と別名

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

名称をさらに表示

4-メチルシクロヘキサン-1,2-ジカルボン酸無水物無水ヘキサヒドロ-4-メチルフタル酸４メチル１，２シクロヘキサンジカルボン酸水物4-メチルシクロヘキサン-1,2-ジカルボン酸無水物3-メチル-8-オキサビシクロ［4．3．0］ノナン-7，9-ジオン4‐メチルシクロヘキサン‐1,2‐ジカルボン酸無水物ヘキサヒドロ-4-メチルフタル酸, 無水物(異性体混合物)ヘキサヒドロ-4-メチルフタル酸無水物, CIS/TRANS混合物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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.4
極性表面積: 43.4 Å²
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: 234

実験および物理化学的性質

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

物理化学的性質

融点: -29 °C · -29°C
沸点: 120 °C · 120°C (1 mmHg)
比重(密度): 1.162 g/mL · 1.162 g/mL at 25 °C(lit.)
蒸気圧: 0.23 Pa · 0.23Pa at 25℃
屈折率: 20 · n20/D 1.477(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: クロロホルム（微量）、酢酸エチル（微量）
外見: 液体
酸解離定数(Pka): 4.24 · 4.24[at 20 ℃]
色: クリア
水溶解度: 反応する
安定性: 吸湿性、湿気に敏感
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℃
CAS データベース: 19438 · 19438-60-9(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1,3-Isobenzofurandione, hexahydro-5-methyl- (19438-60-9)

化学的性質

化学的特性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.

安全と法規制

GHS分類

GHS Classification · 6 件

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

危険有害性情報

Regulatory Information · 6 件

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 · 3 件

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

安全と保護具

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

First Aid Measures · 4 件

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 · 1 件

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.

毒性情報

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

Signs and Symptoms · 4 件

Cough. Sore throat. Wheezing. Shortness of breath.

Redness. Burning sensation.

Redness. Pain. Blurred vision.

Burning sensation. Abdominal pain.

法規制情報

Regulatory Information · 6 件

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.

安全データ

wgk: 1
tsca: TSCA listed
hs_code: 29172090
risk_code: 41-42/43
化審法: (3)-2450
消防法: 危-4-3-III
hazard_code: Xn
hazard_note: Irritant
safety_code: 22-24-26-37/39
Hazard Classifications: Eye Dam. 1Resp. Sens. 1Skin Sens. 1
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

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 · 2 件

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

応用分野 · 3 件

説明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.

使用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).

一般的な説明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.