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Methylhexahydrophthalic anhydride

HCID 178809162
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Basic information

CAS
95032-44-3
Standard SMILES
CC12CCCCC1C(=O)OC2=O
InChIKey
VYKXQOYUCMREIS-UHFFFAOYSA-N
Molecular formula
C9H12O3
Average molar mass
168.19 g/mol

Overview

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.

Names & identifiers

Preferred name
Methylhexahydrophthalic anhydride
IUPAC
7a-methyl-4,5,6,7-tetrahydro-3aH-2-benzofuran-1,3-dione
English name
3a-methyl-5,6,7,7a-tetrahydro-4H-isobenzofuran-1,3-dione
Molecular formula
C9H12O3
Molecular weight
0

Names & synonyms

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
Show more names
1,2-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

Database identifiers

CAS
95032-44-3
ChEBI
CHEBI:55461
EC Number
247-094-1、256-356-4
Nikkaji
J319.971A

Properties

Computed structural propertiesFilling in

XLogP
1.5
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
246

Experimental & physicochemical properties

PolymersPlastics & Rubber -> Acid Anhydrides, Cyclic
Density · 2 items

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 · 2 items

0.007 [mmHg]

Vapor pressure, Pa at 20 °C: 1

Physical Description · 3 items

Liquid

Colorless liquid; [ICSC] Clear liquid; Irritating odor when hot; [Dixie Chemical MSDS]

COLOURLESS LIQUID.

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 6 items

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)

Hazard information

Regulatory Information · 6 items

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 · 1 item

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.

Chemistry & industry

Uses & manufacturing

Uses · 2 items

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 · 2 items

All Other Basic Organic Chemical Manufacturing

1,3-Isobenzofurandione, hexahydromethyl-: ACTIVE

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
More actions
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EC ClassificationNote: C; Symbol: Xn; R: 41-42/43; S: (2)-22-24-26-37/39
Chemical DangersDecomposes slowly on contact with water. This produces acid. Reacts with acids, alcohols, bases and oxidants.
Hazard Classes and Categories · 6 items

Skin Sens. 1 (100%)

Skin Sens. 1 (100%)

Eye damage - category 1

Eye damage - category 1

Respiratory sensitization - Category 1A

Eye Dam. 1

Safety & protection

Fire FightingUse water spray, foam, powder, carbon dioxide.
First Aid Measures · 4 items

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 .

Safe StorageSeparated from food and feedstuffs. Dry.
Spillage DisposalPersonal protection: complete protective clothing including self-contained breathing apparatus. Collect leaking and spilled liquid in covered containers as far as possible.
Eye PreventionWear face shield or eye protection in combination with breathing protection.
Fire PreventionNO open flames.
Inhalation RiskEvaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly on spraying.
Skin PreventionProtective gloves. Protective clothing.
Exposure PreventionAVOID ALL CONTACT!
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse ventilation, local exhaust or breathing protection.
Effects of Long Term ExposureRepeated or prolonged contact may cause skin sensitization. Repeated or prolonged inhalation may cause asthma.

Toxicology

Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesThe substance can be absorbed into the body by inhalation and by ingestion.
Signs and Symptoms · 4 items

Cough. Wheezing.

Redness.

Redness. Pain.

Abdominal pain. Diarrhoea.