Cas no 3646-98-8 (p-Cres-2,3,5,6-d4-ol-d(7CI,8CI))
3646-98-8 structure
Product Name:p-Cres-2,3,5,6-d4-ol-d(7CI,8CI)
CAS No:3646-98-8
MF:C7H8O
MW:113.168630599976
MDL:MFCD01073984
CID:296161
PubChem ID:71308979
Update Time:2025-04-19
p-Cres-2,3,5,6-d4-ol-d(7CI,8CI) Chemical and Physical Properties
Names and Identifiers
-
- p-Cres-2,3,5,6-d4-ol-d(7CI,8CI)
- 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine
- 2,3,5,6,O-pentadeuterio-4-methyl-phenol
- 2,3-benzo-1,4,7,10,13-penta
- 2,3-benzo-1,4,7,10,13-pentaoxacyclopentadec-2-ene
- 2,3-benzo-1,4,7,10,13-pentaoxacyclo-pentadec-2-ene
- 3-amino-15-benzo-crown 5
- Benzo15C5
- Benzo-15-crown 5-Ether
- benzo-15-crown-5
- Benzyl 15-crown-5
- CCRIS 3608
- CHEBI:37444
- Denzo15C5
- Monobenzo-15-crown-5
- p-cresol-2,3,5,6-d4-OD
- 1,2,4,5-tetradeuterio-3-deuteriooxy-6-methylbenzene
- 3646-98-8
- p-Cresol-2,3,5,6-d4,OD, 97 atom % D
- 1-methyl-4-[(?H)oxy](?H?)benzene
- p-Cresol-2,3,5,6-d4,OD
- D98124
-
- MDL： MFCD01073984
- Inchi： 1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3/i2D,3D,4D,5D/hD
- InChI Key： IWDCLRJOBJJRNH-MDXQMYCFSA-N
- SMILES： O([2H])C1C([2H])=C([2H])C(C)=C([2H])C=1[2H]
Computed Properties
- Exact Mass: 113.088898604g/mol
- Monoisotopic Mass: 113.088898604g/mol
- Isotope Atom Count: 5
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 62.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 1.081 g/mL at 25 °C
- Melting Point: 32-34 °C(lit.)
- Boiling Point: 202 °C(lit.)
- Flash Point: 85 °C
p-Cres-2,3,5,6-d4-ol-d(7CI,8CI) Security Information
- Hazard Category Code： 24/25-34
- Safety Instruction： 36/37/39-45
-
Hazardous Material Identification：
p-Cres-2,3,5,6-d4-ol-d(7CI,8CI) Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| AstaTech | D98124-0.1/G |
P-CRESOL-2,3,5,6-D4,OD |
3646-98-8 | 95% | 0.1g |
$280 | 2023-09-19 | |
| AstaTech | D98124-0.25/G |
P-CRESOL-2,3,5,6-D4,OD |
3646-98-8 | 95% | 0.25g |
$360 | 2023-09-19 | |
| AstaTech | D98124-1/G |
P-CRESOL-2,3,5,6-D4,OD |
3646-98-8 | 95% | 1g |
$520 | 2023-09-19 | |
| A2B Chem LLC | AF66665-500mg |
P-CRESOL-2,3,5,6-D4,OD |
3646-98-8 | 500mg |
$398.00 | 2024-04-20 | ||
| A2B Chem LLC | AF66665-1g |
P-CRESOL-2,3,5,6-D4,OD |
3646-98-8 | 1g |
$550.00 | 2024-04-20 |
p-Cres-2,3,5,6-d4-ol-d(7CI,8CI) Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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