CAS Number115871-50-6
Synonymsperdeuterated pentanoic acid; Isopropyl-d7-benzene; <2H6>-Diethylketon; <2H9>valeric acid; MFCD00145082; Cumene-isopropyl-d7; Pentan-3-on-1,1,1,5,5,5-d6; 3-Pentanon-1.1.1-5.5.5-d6; isopropylbenzene-d7; 1,1,1,5,5,5-hexadeuterio-pentan-3-one; <2H6>cumene
Molecular FormulaCD3(CD2)3CO2H
Molecular Weight111.19
Purity99 (CP)%
Density1.022 g/mL at 25ºC
Boiling Point185 °C (lit.)
Melting Point-20--18 °C (lit.)
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 115871-50-6 |
| Catalog No. | 2A-1193186 |
| Chinese Name | 氘代正戊酸-d9 |
| Synonyms | perdeuterated pentanoic acid; Isopropyl-d7-benzene; <2H6>-Diethylketon; <2H9>valeric acid; MFCD00145082; Cumene-isopropyl-d7; Pentan-3-on-1,1,1,5,5,5-d6; 3-Pentanon-1.1.1-5.5.5-d6; isopropylbenzene-d7; 1,1,1,5,5,5-hexadeuterio-pentan-3-one; <2H6>cumene |
| Molecular Formula | CD3(CD2)3CO2H |
| Molecular Weight | 111.19 |
| Purity | 99 (CP) |
| Density | 1.022 g/mL at 25ºC |
| Boiling Point | 185 °C (lit.) |
| Melting Point | -20--18 °C (lit.) |
| Storage Condition | Keep the container sealed and stored in a cool, dr |
| PubChem ID | 24872811 |
| MDL Number | MFCD00145082 |
| SMILES | [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(O)=O |
| InChI | 1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/i1D3,2D2,3D2,4D2 |
| InChI Key | NQPDZGIKBAWPEJ-YNSOAAEFSA-N |
| NACRES Code | NA.12 |
| UNSPSC | 12352106 |
| Hazard Symbols | transportation |
| MSDS | msds/194757_1_115871_50_6.pdf |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 3265 International Maritime Danger Regulations: 3265 International Air Transport Danger Regulations: 3265 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (Valeric-d9 acid) IMDG Code: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (Valeric-d9 acid) International air transport hazard regulations: Corrosive liquid, acidic, organic, n.o.s. (Valeric-d9 acid) 14.3 Transport hazard categories European Dangerous Regulations for land transport: 8 International Dangerous Regulations for sea transport: 8 International Dangerous Regulations for air transport: 8 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 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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