(S)-3,3-DIMETHYL-2-BUTANOL (CAS 1517-67-5) — formula C6H14O, molecular weight 102.17; category organic chemicals.
| CAS Number | 1517-67-5 |
|---|---|
| Molecular Formula | C6H14O |
| Molecular Weight | 102.17 |
| Melting Point | 5.6 °C |
| Boiling Point | 120.4 °C |
| LogP | log Kow = 1.48 |
| Applications | Uses: Used to make chemical warfare agents (i.e. Soman), [HSDB], ... Precursor to soman., Precursor to chemical warfare agents (such as Soman), Methods of Manufacturing: Synthesis: Pinacolone and hydrogen, General Manufacturing Information: 2-Butanol, 3, 3-dimethyl-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Uses: Used to make chemical warfare agents (i.e. Soman), [HSDB], ... Precursor to soman., Precursor to chemical warfare agents (such as Soman), Methods of Manufacturing: Synthesis: Pinacolone and hydrogen, General Manufacturing Information: 2-Butanol, 3, 3-dimethyl-: ACTIVE.
(S)-3,3-DIMETHYL-2-BUTANOL is a carbon-based organic compound with CAS registry number 1517-67-5 and molecular formula C6H14O (molecular weight 102.17), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1517-67-5
Its molecular formula C6H14O comprises 6 C, 14 H, 1 O atoms.
Also known as: (S)-3,3-DIMETHYL-2-BUTANOL · (S)-3,3-二甲基-2-丁醇
Category: organic chemicals
The CAS registry number of (S)-3,3-DIMETHYL-2-BUTANOL is 1517-67-5.
Molecular formula C6H14O, molecular weight 102.17.
It is also registered under: (S)-3,3-DIMETHYL-2-BUTANOL, (S)-3,3-二甲基-2-丁醇.
Recorded applications: Uses: Used to make chemical warfare agents (i.e. Soman), [HSDB], ... Precursor to soman., Precursor to chemical warfare agents (such as Soman), Methods of Manufacturing: Synthesis: Pinacolone and hydrogen, General Manufacturing Information: 2-Butanol, 3, 3-dimethyl-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for (S)-3,3-DIMETHYL-2-BUTANOL (CAS 1517-67-5), compiled from public chemistry databases.
| CAS 号 | 1517-67-5 |
|---|---|
| PubChem CID | 10045 |
| 分子式 | C6H14O |
| IUPAC 名称 | 3,3-dimethylbutan-2-ol |
| UNII（FDA） | 5BV6T1107J |
| Molecular Weight | 102.17 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 102.104465066 |
| Monoisotopic Mass | 102.104465066 |
| Topological Polar Surface Area | 20.2 |
| Heavy Atom Count | 7 |
| Boiling Point | 120.4 °C |
|---|---|
| Boiling Point | 120.4 °C @760 [mm Hg] |
| Melting Point | 5.6 °C |
| Flash Point | 78.8 °F, 26 °C: closed cup |
| Solubility | In water, 2.37X10+4 mg/L at 25 °C |
| Density | 0.8122 g/cu cm |
| Density | 0.8122 @25 °C |
| Vapor Pressure | 8.81 [mmHg] |
| LogP | log Kow = 1.48 |
| LogP | 1.48 |
3,3-DIMETHYL-2-BUTANOL; 3,3-Dimethylbutan-2-ol; 464-07-3; Pinacolyl alcohol; tert-Butyl methyl carbinol; 2-Butanol, 3,3-dimethyl-; 2,2-Dimethyl-3-butanol; NSC-939; 5BV6T1107J; DTXSID10861947; RefChem:863304; DTXCID30810795; 207-347-9; 3,3-Dimethylbutane-2-ol; MFCD00004522; 2-Butanol, 3,3-dimethyl-, (S)-
| 法规与食品接触 | EU Flavoring substances Flavoring Agents |
|---|
| 已通报的危害声明 | H226 (100%), H315 (100%), H319 (100%), H335 (100%), H373 |
|---|
(S)-3,3-二甲基-2-丁醇 · CAS 1517-67-5 · C6H14O. UNII 5BV6T1107J. Boiling Point: 120.4 °C; Boiling Point: 120.4 °C @760 [mm Hg]; Melting Point: 5.6 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: (S)-3,3-二甲基-2-丁醇