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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 ボルネオール - ≥55% , CAS No.507-70-0
Synonyms
Endo-2-camphanol|4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol|Bingpia|exo-2-Bornanol|BORNEOL, (L)|Endo-2-hydroxycamphane|Endo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol|DL-Borneol|DL-Isoborneol|Borneol|(+/-)-borneol|Borneol and Isoborneol|Borneol, exo-|DL-2-Bornanol|exo-1,7,7-Trimethylbicyclo(2.2.1)-2-heptanol|L(-)-Borneol|1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol|1,7,7-trimethyl-bicyclo[2.2.1]heptan-6-ol|1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol, exo- #|Borneo camphor|(2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol|Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-|exo-2-Camphanol|Bornyl alcohol|(+/-)-Isoborneol|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol|Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, endo-(.+/-.)-|Isoborneol|endo-2-Bornanol
仕様 同義語
Endo-2-camphanol | 4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol | Bingpia | exo-2-Bornanol | BORNEOL, (L) | Endo-2-hydroxycamphane | Endo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol | DL-Borneol | DL-Isoborneol | Borneol | (+/-)-borneol | Borneol and Isoborneol | Borneol, exo- | DL-2-Bornanol | exo-1,7,7-Trimethylbicyclo(2.2.1)-2-heptanol | L(-) もっと見る
名前と識別子 カノニカル・スマイル
CC1(C2CCC1(C(C2)O)C)C
IUPAC Name
1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
InChIKey
DTGKSKDOIYIVQL-UHFFFAOYSA-N
INCHI
1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3
異性体SMILES
CC1(C2CCC1(C(C2)O)C)C
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6052111&ln=
詳細データ Taxonomic Classification Kingdom Organic compounds Superclass Lipids and lipid-like molecules 分類 Prenol lipids Subclass Monoterpenoids Intermediate Tree Nodes Not available Direct Parent Bicyclic monoterpenoids Alternative Parents Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives Molecular Framework Aliphatic homopolycyclic compounds Substituents Bicyclic monoterpenoid - Bornane monoterpenoid - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound 説明 This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. External Descriptors a monoterpenol Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3 D構造 関連ターゲット（人間） 関連ターゲット（非人間） 作用メカニズム 証明書（CoA、COO、BSE/TSEと分析図） 化学的性質と物理的性質 溶解度 Insoluble in water; Very soluble in Benzene,Ether,Alcohol; Soluble in Toluene,Acetone,Chloroform 沸点（°C） 212°C 融点（°C） 208°C 分子量 154.250 g/mol XLogP3 2.700 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 0 Exact Mass 154.136 Da Monoisotopic Mass 154.136 Da Topological Polar Surface Area 20.200 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 185.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 3 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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