CAS Number87745-18-4
SynonymsDepakine-d6; 4-Heptanecarboxylic Acid-d6; Valproic Acid-d6; Dipropylacetic Acid-d6; Mylproin-d6; 2-(PROPYL-3,3,3-D3)PENTANOIC-5,5,5-D3 ACID; DPA-d6; 2-Propylvaleric Acid-d6; Ergenyl-d6
Molecular FormulaC8H10D6O2
Molecular Weight150.25
Purity98%
Density0.965g/cm3
Boiling Point220ºC at 760 mmHg
Appearanceliquid
EINECS200-659-6
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 87745-18-4 |
| Catalog No. | 2A-9091533 |
| Chinese Name | 丙戊酸-D6 |
| Synonyms | Depakine-d6; 4-Heptanecarboxylic Acid-d6; Valproic Acid-d6; Dipropylacetic Acid-d6; Mylproin-d6; 2-(PROPYL-3,3,3-D3)PENTANOIC-5,5,5-D3 ACID; DPA-d6; 2-Propylvaleric Acid-d6; Ergenyl-d6 |
| Molecular Formula | C8H10D6O2 |
| Molecular Weight | 150.25 |
| Purity | 98 |
| Density | 0.965g/cm3 |
| Boiling Point | 220ºC at 760 mmHg |
| Appearance | liquid |
| Storage Condition | -20°C |
| EINECS | 200-659-6 |
| PubChem ID | 329828970 |
| MDL Number | MFCD01074058 |
| SMILES | OC(C(CCC([2H])([2H])[2H])CCC([2H])([2H])[2H])=O |
| InChI | 1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/i1D3,2D3 |
| InChI Key | NIJJYAXOARWZEE-WFGJKAKNSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Hazard Symbols | transportation |
| MSDS | msds/91533_1_87745_18_4.pdf |
| Bioactivity | Chemical & Physical Properties Density 0.965g/cm3 Boiling Point 220ºC at 760 mmHg Molecular Formula C8H10D6O2 Molecular Weight 150.24800 Flash Point 116.6ºC Exact Mass 150.15300 PSA 37.30000 LogP 2.28740 Index of Refraction 1.435 InChIKey NIJJYAXOARWZEE-WFGJKAKNSA-N SMILES CCCC(CCC)C(=O)O Storage condition -20°C |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 1230 International Maritime Transport Danger Regulations: 1230 International Air Transport Danger Regulations: 1230 14.2 United Nations shipping name European Land Transport Dangerous Regulations: METHANOL, solution IMDG Code: METHANOL, solution IFRS: Methanol, solution 14.3 Transport hazard categories European land transport risk code: 3 (6.1) International sea transport risk code: 3 (6.1) International air transport risk code: 3 (6.1) 14.4 Package group European Dangerous Regulations for land transport: II International Dangerous Regulations for sea transport: II International Dangerous Regulations for air transport: II 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 |
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