| Revision as of 17:57, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 443350286 of page 3-Methyl-3-octanol for the Chem/Drugbox validation project (updated: 'CASNo'). |
Latest revision as of 19:41, 21 March 2024 edit Wbm1058 (talk | contribs)Autopatrolled, Administrators265,445 editsm Standard temperature and pressure (via WP:JWB) |
| Line 1: |
Line 1: |
|
{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}} |
|
|
{{chembox |
|
{{chembox |
|
|
| Verifiedfields = changed |
|
| verifiedrevid = 443348952 |
|
| verifiedrevid = 477219531 |
|
| Reference = <ref>, PubChem Database (NCBI/NIH)</ref> |
|
| Reference = <ref>, PubChem Database (NCBI/NIH)</ref> |
|
| ImageFile = 3-Methyl-3-octanol.png |
|
| ImageFile = 3-Methyl-3-octanol.png |
|
⚫ |
| PIN = 3-Methyloctan-3-ol |
|
| ImageSize = 200px |
|
| ⚫ |
| IUPACName = 3-Methyloctan-3-ol |
|
|
| OtherNames = Amylethylmethylcarbinol<br>2-Ethyl-2-heptanol<br>3-Methyloctan-3-ol |
|
| OtherNames = Amylethylmethylcarbinol<br>2-Ethyl-2-heptanol<br>3-Methyloctan-3-ol |
|
| Section1 = {{Chembox Identifiers |
|
|Section1={{Chembox Identifiers |
|
| InChI = 1S/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3 |
|
| InChI = 1S/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3 |
|
| InChIKey = JEWXYDDSLPIBBO-UHFFFAOYSA-N |
|
| InChIKey = JEWXYDDSLPIBBO-UHFFFAOYSA-N |
|
| InChI1 = 1/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3 |
|
| InChI1 = 1/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3 |
|
| InChIKey1 = JEWXYDDSLPIBBO-UHFFFAOYAT |
|
| InChIKey1 = JEWXYDDSLPIBBO-UHFFFAOYAT |
|
| SMILES1 = OC(CC)(CCCCC)C |
|
| SMILES1 = OC(CC)(CCCCC)C |
|
| CASNo_Ref = |
|
| CASNo_Ref = {{cascite|correct|CAS}} |
|
| CASNo = <!-- blanked - oldvalue: 5340-36-3 --> |
|
| CASNo = 5340-36-3 |
|
|
| UNII_Ref = {{fdacite|correct|FDA}} |
| ⚫ |
| PubChem = 21432 |
|
|
|
| UNII = 519R9981PM |
| ⚫ |
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
|
|
⚫ |
| PubChem = 21432 |
|
⚫ |
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
|
| StdInChI = 1S/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3 |
|
| StdInChI = 1S/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3 |
|
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
|
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
|
| StdInChIKey = JEWXYDDSLPIBBO-UHFFFAOYSA-N |
|
| StdInChIKey = JEWXYDDSLPIBBO-UHFFFAOYSA-N |
|
| SMILES = CCCCCC(C)(CC)O |
|
| SMILES = CCCCCC(C)(CC)O |
|
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
|
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
|
| ChemSpiderID = 20143 |
|
| ChemSpiderID = 20143 |
|
}} |
|
}} |
|
| Section2 = {{Chembox Properties |
|
|Section2={{Chembox Properties |
|
| Formula = C<sub>9</sub>H<sub>20</sub>O |
|
| Formula = C<sub>9</sub>H<sub>20</sub>O |
|
| MolarMass = 144.2545 g/mol |
|
| MolarMass = 144.2545 g/mol |
|
| Appearance = |
|
| Appearance = |
|
| Density = 0.822 g/mL |
|
| Density = 0.822 g/mL |
|
| MeltingPt = |
|
| MeltingPt = |
|
| BoilingPtC = 127 |
|
| BoilingPtC = 127 |
|
| Reference = <ref>, ]</ref> |
|
| Properties_ref = <ref>, ]</ref> |
|
| Solubility = |
|
| Solubility = |
|
}} |
|
}} |
|
| Section3 = {{Chembox Hazards |
|
|Section3={{Chembox Hazards |
|
| MainHazards = |
|
| MainHazards = |
|
| FlashPt = 73 °C |
|
| FlashPtC = 73 |
|
| Autoignition = |
|
| AutoignitionPtC = |
|
}} |
|
}} |
|
}} |
|
}} |
|
|
|
|
|
'''3-Methyl-3-octanol''' (systematically named '''3-methyloctan-3-ol''') is an ] with the ] CH<sub>3</sub>(CH<sub>2</sub>)<sub>4</sub>C(CH<sub>3</sub>)(CH<sub>2</sub>CH<sub>3</sub>)OH (also written as {{Chem|C|9|H|20|O}}). This simple tertiary ] is a clear colourless liquid under ], and is tasteless. |
|
|
|
|
|
It is used in the ] as a ] as it contributes to the flavour of roast beef.<ref name="Hsu1982">{{cite journal|last=Hsu|first=Chen-Ming|author2=Peterson, Robert J.|author3= Jin, Qi Zhang|author4= Ho, Chi-Tang|author5= Chang, Stephen S.|title=Characterization of new volatile compounds in the neutral fraction of roasted beef flavor|journal=Journal of Food Science|date=1 November 1982|volume=47|issue=6|pages=2068–2069|doi=10.1111/j.1365-2621.1982.tb12950.x}}</ref> It is known to be biochemically produced by the '']'' fungus. 3-Methyl-3-octanol is a ] compound, with each isomer yielding a different flavour. |
|
|
|
|
|
== References == |
|
|
|
|
|
{{Reflist}} |
|
|
|
|
|
{{DEFAULTSORT:Methyl-3-Octanol, 3-}} |
|
|
] |
|
|
] |
|
|
|
|
|
{{Alcohol-stub}} |