CAS Number4839-46-7
SynonymsMFCD00002716; b,b-Dimethylglutaric acid; EINECS 225-425-0; 3,3-Dimethylglutaric acid; 3,3-dimethylpentanedioic acid
Molecular FormulaHOOCCH2C(CH3)2CH2COOH
Molecular Weight160.17
Purity98%
Density1.2±0.1 g/cm3
Boiling Point300.4±15.0 °C at 760 mmHg
Melting Point100-102 °C (lit.)
Appearancepowder
EINECS225-425-0
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 4839-46-7 |
| Catalog No. | 2A-9031256 |
| Chinese Name | 3,3-二甲基戊二酸 |
| Synonyms | MFCD00002716; b,b-Dimethylglutaric acid; EINECS 225-425-0; 3,3-Dimethylglutaric acid; 3,3-dimethylpentanedioic acid |
| Molecular Formula | HOOCCH2C(CH3)2CH2COOH |
| Molecular Weight | 160.17 |
| Purity | 98 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 300.4±15.0 °C at 760 mmHg |
| Melting Point | 100-102 °C (lit.) |
| Appearance | powder |
| Water Solubility | soluble |
| Storage Condition | Store at room temperature, away from light, in a c |
| Application | 3,3-Dimethylglutaric acid is a type of methyl branched fatty acid and an endogenous metabolite occasionally found in human urine. |
| EINECS | 225-425-0 |
| HTC | 29171990 |
| PubChem ID | 57654102 |
| MDL Number | MFCD00002716 |
| SMILES | CC(C)(CC(O)=O)CC(O)=O |
| InChI | 1S/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11) |
| InChI Key | DUHQIGLHYXLKAE-UHFFFAOYSA-N |
| Beilstein/REAXYS | 1765439 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | transportation |
| MSDS | msds/31256_1_4839_46_7.pdf |
| Bioactivity | 3,3-Dimethylglutaric acid, a member of methyl-branched fatty acids, is a endogenous metabolite occasionally found in human urine[1]. Related Catalog Research Areas >> Metabolic Disease References [1]. Gates SC, et al. Automated metabolic profiling of organic acids in human urine. II. Analysis of urine samples from "healthy" adults, sick children, and children with neuroblastoma. Clin Chem. 1978 Oct;24(10):1680-9. Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 300.4±15.0 °C at 760 mmHg Melting Point 100-102 °C(lit.) Molecular Formula C7H12O4 Molecular Weight 160.168 Flash Point 149.7±16.9 °C Exact Mass 160.073563 PSA 74.60000 LogP -0.34 Vapour Pressure 0.0±1.3 mmHg at 25°C Index of Refraction 1.475 InChIKey DUHQIGLHYXLKAE-UHFFFAOYSA-N SMILES CC(C)(CC(=O)O)CC(=O)O Storage condition Store at RT. Water Solubility soluble |
| Use of | 3,3-Dimethylglutaric acid, a member of methyl-branched fatty acids, is a endogenous metabolite occasionally found in human urine[1]. Properties Name 3,3-dimethylglutaric acid Synonym More Synonyms 3,3-Dimethylglutaric acid Biological Activity Description 3,3-Dimethylglutaric acid, a member of methyl-branched fatty acids, is a endogenous metabolite occasionally found in human urine[1]. Related Catalog Research Areas >> Metabolic Disease References [1]. Gates SC, et al. Automated metabolic profiling of organic acids in human urine. II. Analysis of urine samples from "healthy" adults, sick children, and children with neuroblastoma. Clin Chem. 1978 Oct;24(10):1680-9. Chemical & Physical Properties Molecular Formula C7H12O4 Exact Mass 160.073563 PSA 74.60000 LogP -0.34 Index of Refraction 1.475 InChIKey DUHQIGLHYXLKAE-UHFFFAOYSA-N SMILES CC(C)(CC(=O)O)CC(=O)O Storage condition Store at RT. Water Solubility soluble |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Shipping Name: UN |
| 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 United Nations shipping name 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 Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available The above information is believed to be correct, but is not all-inclusive and should be used as a guide only. The information in this document is based on our current knowledge and is Correct safety instructions apply to this product. This information does not represent a warranty as to the properties of this product. See reverse side of invoice or packing slip. |
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