Pinane
Pinane structure
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Common Name | Pinane | ||
|---|---|---|---|---|
| CAS Number | 4795-86-2 | Molecular Weight | 138.250 | |
| Density | 0.8±0.1 g/cm3 | Boiling Point | 157.0±7.0 °C at 760 mmHg | |
| Molecular Formula | C10H18 | Melting Point | -53ºC | |
| MSDS | USA | Flash Point | 36.0±11.7 °C | |
| Symbol |
GHS02 |
Signal Word | Warning | |
Summary: (1R,4S,5R)-4,6,6-Trimethylbicyclo[3.1.1]heptane, also known as Pinane, with CAS number 4795-86-2, has a molecular formula of C10H18 and a molecular weight of 138.250. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (1R,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 0.8±0.1 g/cm3 |
|---|---|
| Boiling Point | 157.0±7.0 °C at 760 mmHg |
| Melting Point | -53ºC |
| Molecular Formula | C10H18 |
| Molecular Weight | 138.250 |
| Flash Point | 36.0±11.7 °C |
| Exact Mass | 138.140854 |
| LogP | 4.76 |
| Vapour Pressure | 3.6±0.1 mmHg at 25°C |
| Index of Refraction | 1.455 |
| InChIKey | XOKSLPVRUOBDEW-DJLDLDEBSA-N |
| SMILES | CC1CCC2CC1C2(C)C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS02 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H226 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Risk Phrases | 10 |
| Safety Phrases | 16 |
| RIDADR | UN 2319 3/PG 3 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 3.2 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 0 | |
|---|---|
| DownStream 3 | |
CAS#:23516-36-1
CAS#:7785-53-7
CAS#:18492-55-2This table lists relevant public references with title, journal and publication metadata for this compound.
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Metabolic profiling of GuanXin II prescription based on metabolic fingerprinting and chemical analysis.
J. Pharm. Biomed. Anal. 54(4) , 789-98, (2011) A sensitive LC/MS method was established to investigate the in vivo metabolism of GuanXin II prescription, a five-component Chinese herbal medicine formulation. Rat plasma, bile, urine, and feces were... |
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Chemistry around pinene and pinane: a facile synthesis of cyclobutanes and oxatricyclo-derivative of pinane from cis- and trans-pinanols.
Chem. Biodivers. 5(6) , 910-9, (2008) Alpha-pinene and beta-pinene are abundantly represented in nature; they are obtained from renewable sources and are irreplaceable synthons for commercial-scale production of other terpenes. In a well-... |
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Acute toxicities to larval rainbow trout of representative compounds detected in Great Lakes fish.
Bull. Environ. Contam. Toxicol. 46(2) , 173-8, (1991)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (1R,2S)-2,6,6-Trimethylbicyclo[3.1.1]heptane |
| EINECS 225-352-4 |
| 2,6,6-Trimethylbicyclo[3.1.1]heptane |
| Pinane (8CI) |
| L46 ATJ A1 A1 E1 |
| Pinane |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the safety information for (1R,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane? |
| A: Safety information for (1R,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane: 16. |
| Q: What are the downstream products of (1R,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane? |
| A: Related downstream products(CAS) of (1R,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane: 23516-36-1;7785-53-7;18492-55-2. |
| Q: What is the LogP of (1R,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane? |
| A: LogP of (1R,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane is 4.76. |
| Q: What is the CAS number of (1R,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane? |
| A: CAS number of (1R,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane is 4795-86-2. |
| Q: What is the SMILES notation of (1R,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane? |
| A: SMILES notation of (1R,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane is CC1CCC2CC1C2(C)C. |
| Q: What is the English name of (1R,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane? |
| A: The English name of (1R,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane is (1R,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane. |
| Q: What is the InChIKey of (1R,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane? |
| A: InChIKey of (1R,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane is XOKSLPVRUOBDEW-DJLDLDEBSA-N. |
| Q: What is the boiling point of (1R,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane? |
| A: Boiling point of (1R,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane is 157.0±7.0 °C at 760 mmHg. |
| Q: What is the molecular weight of (1R,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane? |
| A: Molecular weight of (1R,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane is 138.250. |
| Q: What English synonyms does (1R,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane have? |
| A: English synonyms of (1R,4S,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane: (1R,2S)-2,6,6-Trimethylbicyclo[3.1.1]heptane, EINECS 225-352-4, 2,6,6-Trimethylbicyclo[3.1.1]heptane, Pinane (8CI), L46 ATJ A1 A1 E1, Pinane. |