| Revision as of 11:47, 7 November 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Script assisted update of identifiers for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit |
Latest revision as of 20:46, 20 December 2021 edit undoFswitzer4 (talk | contribs)Extended confirmed users10,572 editsm Added Missing UNIIs, not yet published |
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{{Chembox |
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{{Chembox |
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| Verifiedfields = changed |
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| Watchedfields = changed |
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| verifiedrevid = 459443626 |
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| Name = Guaienes |
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| Name = Guaienes |
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| ImageFileL1 = Alpha-guaiene.svg |
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| ImageFileL1 = Alpha-guaiene.svg |
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| ImageCaptionL1 = α-Guaiene |
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| ImageSizeL1 = 100px |
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| ImageCaptionL1 = α-Guaiene |
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| ImageFileR1 = Beta-guaiene.svg |
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| ImageFileR1 = Beta-guaiene.svg |
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| ImageCaptionR1 = β-Guaiene |
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| ImageSizeR1 = 100px |
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| ImageCaptionR1 = β-Guaiene |
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| ImageFile2 = Delta-guaiene.svg |
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| ImageFile2 = Delta-guaiene.svg |
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| ImageSize2 = 100px |
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| ImageSize2 = 100px |
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| ImageCaption2 = δ-Guaiene |
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| ImageCaption2 = δ-Guaiene |
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| IUPACName = α: (1''S'',4''S'',7''R'')-1,4-Dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulene<br>β: (1''S'',4''S'')-1,4-Dimethyl-7-(propan-2-ylidene)-1,2,3,4,5,6,7,8-octahydroazulene<br>δ: (3''S'',3a''S'',5''R'')-3,8-Dimethyl-5-(prop-1-en-2-yl)-1,2,3,3a,4,5,6,7-octahydroazulene |
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| IUPACName = α: (1''S'',4''S'',7''R'')-1,4-Dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulene<br>β: (1''S'',4''S'')-1,4-Dimethyl-7-(propan-2-ylidene)-1,2,3,4,5,6,7,8-octahydroazulene<br>δ: (3''S'',3a''S'',5''R'')-3,8-Dimethyl-5-(prop-1-en-2-yl)-1,2,3,3a,4,5,6,7-octahydroazulene |
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| IUPACName_hidden = yes |
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| OtherNames = Guajene |
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| OtherNames = Guajene |
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| Section1 = {{Chembox Identifiers |
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|Section1={{Chembox Identifiers |
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| CASNo_Ref = {{cascite|correct|}} |
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| CASNo = <!-- blanked - oldvalue: 3691-12-1 --> |
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| CASNo = 3691-12-1 |
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| CASNo_Ref = {{cascite|correct|}} |
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| CASNo_Comment = (α) |
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| CASNo_Comment = (α) |
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| CASNo1_Ref = {{cascite|correct|}} |
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| CASNo1 = 88-84-6 |
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| CASNo1 = 88-84-6 |
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| CASNo1_Ref = {{cascite|correct|}} |
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| CASNo1_Comment = (β) |
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| CASNo1_Comment = (β) |
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| CASNo2_Ref = {{cascite|correct|}} |
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| CASNo2 = 3691-11-0 |
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| CASNo2 = 3691-11-0 |
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| CASNo2_Ref = {{cascite|correct|}} |
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| CASNo2_Comment = (δ) |
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| CASNo2_Comment = (δ) |
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| UNII_Ref = {{fdacite|changed|FDA}} |
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| PubChem = |
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| UNII = ABQ2CB7VAC |
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| SMILES = C1CCC2=C1C(C(C)=C)CC2C |
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| SMILES_Comment = (α) |
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| UNII_Comment = (α) |
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| UNII1_Ref = {{fdacite|changed|FDA}} |
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| SMILES1 = C1CCC2=C1C/C(CC2C)=C(C)\C |
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| UNII1 = 1D018Q907T |
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| SMILES1_Comment = (β) |
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| UNII1_Comment = (β) |
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| SMILES2 = C1CCC2=C(C)CC(C(C)=C)C21 |
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| UNII2_Ref = {{fdacite|changed|FDA}} |
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| SMILES2_Comment = (δ) |
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| UNII2 = 2U8L6FYE8U |
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| UNII2_Comment = (δ) |
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| PubChem = 5317844 |
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| PubChem_Comment = (α) |
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| PubChem1 = 15560252 |
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| PubChem1_Comment = (β) |
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| PubChem2 = 94275 |
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| PubChem2_Comment = (δ) |
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| ChemSpiderID_Ref = {{chemspidercite|changed|chemspider}} |
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| ChemSpiderID = 4476575 |
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| ChemSpiderID_Comment = (α) |
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| ChemSpiderID1_Ref = {{chemspidercite|changed|chemspider}} |
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| ChemSpiderID1 = 16736689 |
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| ChemSpiderID1_Comment = (β) |
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| ChemSpiderID2_Ref = {{chemspidercite|changed|chemspider}} |
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| ChemSpiderID2 = 85080 |
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| ChemSpiderID2_Comment = (δ) |
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| SMILES = C1CCC2=C1C(C(C)=C)CC2C |
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| SMILES_Comment = (α) |
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| SMILES1 = C1CCC2=C1C/C(CC2C)=C(C)\C |
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| SMILES1_Comment = (β) |
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| SMILES2 = C1CCC2=C(C)CC(C(C)=C)C21 |
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| SMILES2_Comment = (δ) |
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| InChI = 1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+/m0/s1 |
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| InChI_Comment = (α) |
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| InChIKey = ADIDQIZBYUABQK-RWMBFGLXSA-N |
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| InChI1 = 1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3/t11-,12-/m0/s1 |
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| InChI1_Comment = (β) |
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| InChIKey1 = GIBQERSGRNPMEH-RYUDHWBXSA-N |
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| InChI2 = 1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h12-13,15H,1,5-9H2,2-4H3/t12-,13+,15-/m0/s1 |
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| InChI2_Comment = (δ) |
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| InChIKey2 = YHAJBLWYOIUHHM-GUTXKFCHSA-N |
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}} |
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}} |
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| Section2 = {{Chembox Properties |
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|Section2={{Chembox Properties |
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| C=15|H=24 |
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| C=15 | H=24 |
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| Appearance = |
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| Appearance = |
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| Density = |
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| Density = |
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| MeltingPt = |
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| MeltingPt = α: 281-282 °C<ref name=thegoodscentscompany>, The Good Scents Company</ref><br>α: 78-79 °C (@ 2.5 Torr)<ref>{{cite journal | author = Takeda, Kenichi | journal = Tetrahedron | year = 1961 | volume = 13 | pages = 308–318 | doi = 10.1016/S0040-4020(01)92224-0 | title = Studies on sesquiterpenoids—III, Some derivatives of guaiol | issue = 4}}</ref><br>β: 281 °C<ref>{{cite journal | author = Won, Mi-Mi | title = Analytica Chimica Acta | year = 2009 | volume = 631 | issue = 1 | pages = 54–61}}</ref> |
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| BoilingPt = α: 281-282 °C<ref name=thegoodscentscompany>, The Good Scents Company</ref><br>α: 78-79 °C (@ 2.5 Torr)<ref>{{cite journal | author = Takeda, Kenichi | journal = Tetrahedron | year = 1961 | volume = 13 | pages = 308–318 | doi = 10.1016/S0040-4020(01)92224-0 | title = Studies on sesquiterpenoids—III, Some derivatives of guaiol | issue = 4}}</ref><br>β: 281 °C<ref>{{cite journal | author = Won, Mi-Mi | title = Analytica Chimica Acta | year = 2009 | volume = 631 | issue = 1 | pages = 54–61}}</ref> |
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| BoilingPt = |
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| Solubility = }} |
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| Solubility = }} |
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| Section3 = {{Chembox Hazards |
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|Section3={{Chembox Hazards |
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| MainHazards = |
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| MainHazards = |
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| FlashPt = |
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| FlashPt = |
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| Autoignition = }} |
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| AutoignitionPt = }} |
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}} |
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}} |
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'''Guaienes''' are a series of closely related natural chemical compounds that have been isolated from a variety of plant sources. The guaienes are ]s with the molecular formula C<sub>15</sub>H<sub>24</sub>. α-Guaiene is the most common and was first isolated from ] from '']''.<ref>{{cite journal |author1=Bates, R. B. |author2=Slagel, R. C. | title = Terpenoids. VI. β-Bulnesene, α-guaiene, β-patchoulene, and guaioxide in essential oils | journal = Chemistry & Industry | year = 1962 | pages = 1715–1716}}</ref> The guaienes are used in the fragrance and flavoring industries to impart earthy, spicy aromas and tastes.<ref name=thegoodscentscompany/><ref>, Joint FAO/WHO Expert Committee on Food Additives</ref> |
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==See also== |
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'''Guaienes''' are a series of closely related natural chemical compounds that have been isolated from a variety of plant sources. The guaienes are ]s with the molecular formula C<sub>15</sub>H<sub>24</sub>. α-Guaiene is the most common and was first isolated from ] from '']''.<ref>{{cite journal | author = Bates, R. B.; Slagel, R. C. | title = Terpenoids. VI. β-Bulnesene, α-guaiene, β-patchoulene, and guaioxide in essential oils | journal = Chemistry & Industry | year = 1962 | pages = 1715–1716}}</ref> The guaienes are used in the fragrance and flavoring industries to impart earthy, spicy aromas and tastes.<ref name=thegoodscentscompany/><ref>, Joint FAO/WHO Expert Committee on Food Additives</ref> |
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==References== |
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==References== |