CAS Number3058-01-3
SynonymsMFCD00002804; 3-methylhexane-1,6-dioic acid; EINECS 221-293-3; 3-Methylhexanedioic acid; 3R-methyladipic acid; 3-Methyladipic acid; 3-methylhexanedioate; 3-methyl-hexanedioic acid
Molecular FormulaHO2CCH2CH2CH(CH3)CH2CO2H
Molecular Weight160.17
Purity99%
Density1.197
Boiling Point230 °C/30 mmHg (lit.)
Melting Point100-102 °C (lit.)
AppearanceWhite - very light yellow crystals - powder
EINECS221-293-3
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 3058-01-3 |
| Catalog No. | 2A-9029365 |
| Chinese Name | 3-甲基己二酸 |
| Synonyms | MFCD00002804; 3-methylhexane-1,6-dioic acid; EINECS 221-293-3; 3-Methylhexanedioic acid; 3R-methyladipic acid; 3-Methyladipic acid; 3-methylhexanedioate; 3-methyl-hexanedioic acid |
| Molecular Formula | HO2CCH2CH2CH(CH3)CH2CO2H |
| Molecular Weight | 160.17 |
| Purity | 99 |
| Density | 1.197 |
| Boiling Point | 230 °C/30 mmHg (lit.) |
| Melting Point | 100-102 °C (lit.) |
| Appearance | White - very light yellow crystals - powder |
| Storage Condition | Sealed in a cool, dry environment |
| Application | 3-Methyladipic acid is the final product of the ω-oxidation pathway. |
| EINECS | 221-293-3 |
| HTC | 2917190090 |
| PubChem ID | 24896760 |
| MDL Number | MFCD00002804 |
| SMILES | CC(CCC(O)=O)CC(O)=O |
| InChI | 1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11) |
| InChI Key | SYEOWUNSTUDKGM-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | transportation |
| MSDS | msds/29365_1_3058_01_3.pdf |
| Bioactivity | 3-Methyladipic acid is the final metabolite in the ω-oxidation pathway. Related Catalog Natural Products >> Acids and Aldehydes Research Areas >> Metabolic Disease Target Human Endogenous Metabolite References [1]. Wierzbicki AS, et al. Refsum's disease: a peroxisomal disorder affecting phytanic acid alpha-oxidation. J Neurochem. 2002 Mar;80(5):727-35. Chemical & Physical Properties Density 1.197 Boiling Point 341ºC Melting Point 95-97ºC Molecular Formula C7H12O4 Molecular Weight 160.16800 Flash Point 171ºC Exact Mass 160.07400 PSA 74.60000 LogP 0.96200 InChIKey SYEOWUNSTUDKGM-UHFFFAOYSA-N SMILES CC(CCC(=O)O)CC(=O)O |
| Use of | 3-Methyladipic acid is the final metabolite in the ω-oxidation pathway. Properties Name 3-methyladipic acid Synonym More Synonyms 3-Methyladipic acid Biological Activity Description 3-Methyladipic acid is the final metabolite in the ω-oxidation pathway. Related Catalog Natural Products >> Acids and Aldehydes Research Areas >> Metabolic Disease Human Endogenous Metabolite References [1]. Wierzbicki AS, et al. Refsum's disease: a peroxisomal disorder affecting phytanic acid alpha-oxidation. J Neurochem. 2002 Mar;80(5):727-35. Chemical & Physical Properties Molecular Formula C7H12O4 Exact Mass 160.07400 PSA 74.60000 LogP 0.96200 InChIKey SYEOWUNSTUDKGM-UHFFFAOYSA-N SMILES CC(CCC(=O)O)CC(=O)O |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 99.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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