Dimethyl 1,4-cyclohexanedicarboxylate (CAS 94-60-0) — formula C10H16O4, molecular weight 200.23; category organic chemicals.
| CAS Number | 94-60-0 |
|---|---|
| Molecular Formula | C10H16O4 |
| Molecular Weight | 200.23 |
| Boiling Point | 265 °C (mixed isomer) |
| LogP | 1.1 |
| Applications | Uses: Used in plasticizers and polymers, [HSDB], Plasticizers, polymers, Used as a chemical intermediate in the production of trans-1, 4-cyclohexane diisocyanate., Used as a chemical intermediate in the commercially important production of 1, 4-cyclohexanedimethanol., Used for the synthesis of polyester resins, polyamides, alkyds, and plasticizers. Used to make polyester polyols for polyurethane coatings for automotive, industrial maintenance, transportation, and aerospace applications., Ingredient of crude MCHM, dimethyl 1, 4-cyclohexanedicarboxylate 1%, Industry Uses: Intermediate, Intermediate, Formulations, Preparations: 60% cis and 40% trans isomers, U.S. Production: 2023: 1, 000, 000 - <8, 500, 000 lb, 2022: 1, 2021: 1, 2020: 1, 2023: 150, 000 - <500, 2022: 500, 000 - <1, 2021: 500, 2020: 500, 1, 4-Cyclohexanedicarboxylic acid, dimethyl ester is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and, or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B, 51FR21438)., Production volumes for non-confidential chemicals reported under the Inventory Update Rule.[Table#5342], Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: 1, 4-dimethyl ester. Aggregated National Production Volume: 100 to < 500 million pounds., Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 1, 4-dimethyl ester. National Production Volume: Withheld., General Manufacturing Information: All Other Basic Organic Chemical Manufacturing, All Other Basic Organic Chemical Manufacturing, 4-dimethyl ester: ACTIVE, 4-dimethyl ester, trans-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Uses: Used in plasticizers and polymers, [HSDB], Plasticizers, polymers, Used as a chemical intermediate in the production of trans-1, 4-cyclohexane diisocyanate., Used as a chemical intermediate in the commercially important production of 1, 4-cyclohexanedimethanol., Used for the synthesis of polyester resins, polyamides, alkyds, and plasticizers. Used to make polyester polyols for polyurethane coatings for automotive, industrial maintenance, transportation, and aerospace applications., Ingredient of crude MCHM, dimethyl 1, 4-cyclohexanedicarboxylate 1%, Industry Uses: Intermediate, Intermediate, Formulations, Preparations: 60% cis and 40% trans isomers, U.S. Production: 2023: 1, 000, 000 - <8, 500, 000 lb, 2022: 1, 2021: 1, 2020: 1, 2023: 150, 000 - <500, 2022: 500, 000 - <1, 2021: 500, 2020: 500, 1, 4-Cyclohexanedicarboxylic acid, dimethyl ester is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and, or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B, 51FR21438)., Production volumes for non-confidential chemicals reported under the Inventory Update Rule.[Table#5342], Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: 1, 4-dimethyl ester. Aggregated National Production Volume: 100 to < 500 million pounds., Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 1, 4-dimethyl ester. National Production Volume: Withheld., General Manufacturing Information: All Other Basic Organic Chemical Manufacturing, All Other Basic Organic Chemical Manufacturing, 4-dimethyl ester: ACTIVE, 4-dimethyl ester, trans-: ACTIVE.
Dimethyl 1,4-cyclohexanedicarboxylate is a carbon-based organic compound with CAS registry number 94-60-0 and molecular formula C10H16O4 (molecular weight 200.23), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94-60-0
Its molecular formula C10H16O4 comprises 10 C, 16 H, 4 O atoms.
Also known as: Dimethyl 1,4-cyclohexanedicarboxylate · 1,4-环己烷二甲酸二甲酯
Category: organic chemicals
The CAS registry number of Dimethyl 1,4-cyclohexanedicarboxylate is 94-60-0.
Molecular formula C10H16O4, molecular weight 200.23.
It is also registered under: Dimethyl 1,4-cyclohexanedicarboxylate, 1,4-环己烷二甲酸二甲酯.
Recorded applications: Uses: Used in plasticizers and polymers, [HSDB], Plasticizers, polymers, Used as a chemical intermediate in the production of trans-1, 4-cyclohexane diisocyanate., Used as a chemical intermediate in the commercially important production of 1, 4-cyclohexanedimethanol., Used for the synthesis of polyester resins, polyamides, alkyds, and plasticizers. Used to make polyester polyols for polyurethane coatings for automotive, industrial maintenance, transportation, and aerospace applications., Ingredient of crude MCHM, dimethyl 1, 4-cyclohexanedicarboxylate 1%, Industry Uses: Intermediate, Intermediate, Formulations, Preparations: 60% cis and 40% trans isomers, U.S. Production: 2023: 1, 000, 000 - <8, 500, 000 lb, 2022: 1, 2021: 1, 2020: 1, 2023: 150, 000 - <500, 2022: 500, 000 - <1, 2021: 500, 2020: 500, 1, 4-Cyclohexanedicarboxylic acid, dimethyl ester is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and, or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B, 51FR21438)., Production volumes for non-confidential chemicals reported under the Inventory Update Rule.[Table#5342], Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: 1, 4-dimethyl ester. Aggregated National Production Volume: 100 to < 500 million pounds., Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 1, 4-dimethyl ester. National Production Volume: Withheld., General Manufacturing Information: All Other Basic Organic Chemical Manufacturing, All Other Basic Organic Chemical Manufacturing, 4-dimethyl ester: ACTIVE, 4-dimethyl ester, trans-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for Dimethyl 1,4-cyclohexanedicarboxylate (CAS 94-60-0), compiled from public chemistry databases.
| CAS Registry Number | 94-60-0 |
|---|---|
| PubChem CID | 7198 |
| Molecular formula | C10H16O4 |
| IUPAC name | dimethyl cyclohexane-1,4-dicarboxylate |
| UNII (FDA) | YS87MDS0ZV |
| Molecular Weight | 200.23 |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 200.10485899 |
| Monoisotopic Mass | 200.10485899 |
| Topological Polar Surface Area | 52.6 |
| Heavy Atom Count | 14 |
| Boiling Point | 265 °C (mixed isomer) |
|---|---|
| Solubility | In water, 12,000 mg/L at 25 °C |
| Density | Density: 1.095 - 1.097 g/cu cm at 30 °C |
| Vapor Density | 6.91 (Air = 1) |
| Vapor Pressure | 0.08 [mmHg] |
| Heat of Combustion | -4.921X10+9 J/kmol |
Dimethyl 1,4-cyclohexanedicarboxylate; Dimethyl cyclohexane-1,4-dicarboxylate; DIMETHYL HEXAHYDROTEREPHTHALATE; DMCHDC; HSDB 5284; UNII-TF036NGH12; EINECS 202-347-5; AI3-28580; DTXSID3026566; EC 202-347-5; DTXCID806566; 1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester; EASTMAN DMCD; RefChem:134201; hexahydrodimethyl terephthalate; dimethyl 1,4cyclohexanedicarboxylate
| Regulatory & Food Contact | FDA Cumulative Estimated Daily Intake (CEDI): FCS FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS DIMETHYL 1,4-CYCLOHEXANEDICARBOXYLATE (CIS & TRANS) |
|---|---|
| GHS notification summary | 38.3% (36 / 94) |
| GHS notification summary | 38.3% (36 / 94) |
|---|---|
| Reported hazard statements | H319 (61.7%), H315 (100%), H412 (100%) |
This chemical does not meet GHS hazard criteria for 38.3% (36 of 94) of reports.
H319 (61.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Dimethyl 1,4-cyclohexanedicarboxylate · CAS 94-60-0 · C10H16O4. UNII YS87MDS0ZV. Boiling Point: 265 °C (mixed isomer); Solubility: In water, 12,000 mg/L at 25 °C; Density: Density: 1.095 - 1.097 g/cu cm at 30 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1,4-环己烷二甲酸二甲酯