CAS 19438-60-9 Hexahydro-4-methylphthalic anhydride (HCID 86876)

Names & identifiers

Preferred name: Hexahydro-4-methylphthalic anhydride
IUPAC: 5-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
English name: Hexahydro-4-methylphthalic anhydride
Molecular formula: C9H12O3
Molecular weight: 168.19

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 234

Experimental & physicochemical properties

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

Physicochemical properties

Melting point: -29 °C · -29°C
Boiling point: 120 °C · 120°C (1 mmHg)
Density: 1.162 g/mL · 1.162 g/mL at 25 °C(lit.)
vapor pressure: 0.23 Pa · 0.23Pa at 25℃
refractive index: 20 · n20/D 1.477(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Liquid
pka: 4.24 · 4.24[at 20 ℃]
color: Clear
Water Solubility: REACTS
Sensitive: Moisture Sensitive
Stability: Hygroscopic, Moisture Sensitive
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℃
Substances of Very High Concern (SVHC) Candidate List: -4 · Hexahydro-4-methylphthalic anhydride (19438-60-9)
CAS DataBase Reference: 19438 · 19438-60-9(CAS DataBase Reference)
FDA UNII: 0 A6XX8MUNL · 0A6XX8MUNL
EPA Substance Registry System: 1 · 1,3-Isobenzofurandione, hexahydro-5-methyl- (19438-60-9)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 5 · GHS05,GHS08
Signal word: Danger
Hazard statements: 317 · H317-H318-H334
Precautionary statements: 261 · P261-P272-P280-P284-P302+P352-P305+P351+P338
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn
Risk Statements: 41 · 41-42/43
Safety Statements: 22 · 22-24-26-37/39
WGK Germany: 1 · 1
Hazard Note: Irritant
TSCA: TSCA listed
HS Code: 29172090 · 29172090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 1 Resp · Eye Dam. 1Resp. Sens. 1Skin Sens. 1
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

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

Hazard information

Regulatory Information · 6 items

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 items

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

Safety & protection

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

First Aid Measures · 4 items

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 item

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.

Toxicology

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

Signs and Symptoms · 4 items

Cough. Sore throat. Wheezing. Shortness of breath.

Redness. Burning sensation.

Redness. Pain. Blurred vision.

Burning sensation. Abdominal pain.

Regulatory information

Regulatory Information · 6 items

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.

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 1
tsca: TSCA listed
hs_code: 29172090
risk_code: 41-42/43
Signal word: Danger
Symbol(GHS): GHS05,GHS08
hazard_code: Xn
hazard_note: Irritant
safety_code: 22-24-26-37/39
Storage Class: 10 - Combustible liquids
Hazard statements: H317-H318-H334
REACH Registrations: Active
Hazard Classifications: Eye Dam. 1Resp. Sens. 1Skin Sens. 1
Precautionary statements: P261-P272-P280-P284-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

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 items

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

Applications · 3 items

DescriptionMethylhexahydrophthalic 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.

UsesHexahydro-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).

General DescriptionMethylhexahydrophthalic 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.