2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00182 |
| Mol. Weight | 88.15 g/mol |
| LogP | 1.06 |
| Water solubility | 110 mg/mL |
| Hydrogen Bond Donor | 1 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 1 |
| XLogP3 | 0.9 |
| Identifiers | |
|---|---|
| Formula | C5H12O |
| PubChem CID | 6405 |
| FEMA | / |
| Flavor Profile | / |
| Smiles | CCC(C)(C)O |
| InChl Key | MSXVEPNJUHWQHW-UHFFFAOYSA-N |
| InChl | InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3 |
| CAS Registry Number | 75-85-4 |
| IUPAC Systematic Name | 2-methylbutan-2-ol |
Organ Location Map/System Distribution of Pungent Flavor Compounds’ Targets
Note: Known Targets (Gene) from 6952 literatures, DrugBank (http://www.drugbank.ca/), STITCH (http://stitch.embl.de/), ChEMBL (https://www.ebi.ac.uk/chembl/), Therapeutic Target Database (http://bidd.nus.edu.sg/group/ttd/), and Comparative Toxicogenomics Database (CTD, http://ctdbase.org/)
| English Name | Pinyin Name (Chinese Name) | Latin Name | Properties in TCM | merdians | View Graph |
|---|---|---|---|---|---|
| NONE | NONE | NONE | NONE | NONE | View Graph |
2 - M e t h y l - 2 - B u t a n o l i s m o s t l y a p o s i t i v e a l l o s t e r i c m o d u l a t o r f o r G A B A A r e c e p t o r s . 2 - M e t h y l - 2 - B u t a n o l i s a c o l o r l e s s l i q u i d w i t h a b u r n i n g f l a v o r a n d a v e r y u n p l e a s a n t o d o r w h i c h h a s b e e n d e s c r i b e d a s b e i n g s i m i l a r t o p a r a l d e h y d e w i t h a h i n t o f c a m p h o r . 2 - M e t h y l - 2 - B u t a n o l p r o d u c e s e u p h o r i a , s e d a t i v e , h y p n o t i c , a n d a n t i c o n v u l s a n t e f f e c t s s i m i l a r t o e t h a n o l t h r o u g h i n g e s t i o n o r i n h a l a t i o n . T h e s m a l l e s t k n o w n d o s e o f 2 - M e t h y l - 2 - B u t a n o l t h a t h a s k i l l e d a p e r s o n i s 3 0 m l . A n o v e r d o s e p r o d u c e s s y m p t o m s s i m i l a r t o a l c o h o l p o i s o n i n g a n d i s a m e d i c a l e m e r g e n c y d u e t o t h e s e d a t i v e / d e p r e s s a n t p r o p e r t i e s w h i c h m a n i f e s t i n o v e r d o s e a s p o t e n t i a l l y l e t h a l r e s p i r a t o r y d e p r e s s i o n . T h e o r a l L D 5 0 i n r a t s i s 1 g / k g . T h e s u b c u t a n e o u s L D 5 0 i n m i c e i s 2 . 1 g / k g . Q u i c k l o s s o f c o n s c i o u s n e s s , s i m u l t a n e o u s r e s p i r a t o r y a n d m e t a b o l i c a c i d o s i s , f a s t h e a r t b e a t , i n c r e a s e d b l o o d p r e s s u r e , p u p i l c o n s t r i c t i o n , c o m a , r e s p i r a t o r y d e p r e s s i o n .
Note: Click anywhere in the blank, you can drag the whole dynamic diagram. Click on a node, you can drag his location to see it more clearly. The blue circle represents pharmacology, toxicology, or daily use. Orange hexagon represents the pungent compounds.
1 . M a r t i n , J . V . , I y e r , S . V . , M c I l r o y , P . J . , & I b a , M . M . I n f l u e n c e o f o x y g e n a t e d f u e l a d d i t i v e s a n d t h e i r m e t a b o l i t e s o n - a m i n o b u t y r i c a c i d A ( G A B A A ) r e c e p t o r f u n c t i o n i n r a t b r a i n s y n a p t o n e u r o s o m e s [ J ] . T o x i c o l o g y l e t t e r s , 2 0 0 4 , 1 4 7 ( 3 ) : 2 0 9 - 2 1 7 .
2 . M a r t i n J V , B i l g i n N M , I b a M M . I n f l u e n c e o f o x y g e n a t e d f u e l a d d i t i v e s a n d t h e i r m e t a b o l i t e s o n t h e b i n d i n g o f a c o n v u l s a n t l i g a n d o f t h e - a m i n o b u t y r i c a c i d A ( G A B A A ) r e c e p t o r i n r a t b r a i n m e m b r a n e p r e p a r a t i o n s [ J ] . T o x i c o l o g y l e t t e r s , 2 0 0 2 , 1 2 9 ( 3 ) : 2 1 9 - 2 2 6 .
3 . O ' N e i l , M . J . , H e c k e l m a n , P . E . , K o c h , C . B . , & R o m a n , K . J . T h e M e r c k I n d e x , 1 4 t h [ J ] . W h i t e h o u s e S t a t i o n , N J : M e r c k , 2 0 0 6 : 8 1 1 .
4 . L e w i s , R . J . ( 2 0 0 1 ) . H a w l e y ' s C o n d e n s e d C h e m i c a l D i c t i o n a r y . N e w Y o r k , N Y : J o h n W i l e y & S o n s , I n c . p . 7 0 .
5 . Y a n d e l l , D . W . ; e t a l . ( 1 8 8 8 ) . " A m y l e n e h y d r a t e , a n e w h y p n o t i c " . T h e A m e r i c a n P r a c t i t i o n e r a n d N e w s . 5 : 8 8 9 8 .
6 . L e w i s R A . L e w i s ' d i c t i o n a r y o f t o x i c o l o g y [ M ] . C R C p r e s s , 1 9 9 8 .
7 . " 2 - M E T H Y L - 2 - B U T A N O L - N a t i o n a l L i b r a r y o f M e d i c i n e H S D B D a t a b a s e " . w w w . t o x n e t . n l m . n i h . g o v . A r c h i v e d f r o m t h e o r i g i n a l o n 2 0 1 8 - 0 3 - 0 8 . R e t r i e v e d 2 0 1 8 - 0 4 - 0 8 .
8 . h t t p s : / / e n . w i k i p e d i a . o r g / w i k i / T e r t - A m y l _ a l c o h o l # c i t e _ n o t e - : 3 - 1 9
9 . S o e h r i n g K , F r e y H H , E n d r e s G . R e l a t i o n s b e t w e e n c o n s t i t u t i o n a n d e f f e c t o f t e r t i a r y a l c o h o l s [ J ] . A r z n e i m i t t e l - F o r s c h u n g , 1 9 5 5 , 5 ( 4 ) : 1 6 1 - 1 6 5 .
1 0 . A n a n d , J . S . , G i e r o D, J . , L e c h o w i c z , W . , S c h e t z , D . , K a Ba , M . , & W a l d m a n , W . A c u t e i n t o x i c a t i o n d u e t o t e r t - a m y l a l c o h o l A c a s e r e p o r t [ J ] . F o r e n s i c s c i e n c e i n t e r n a t i o n a l , 2 0 1 4 , 2 4 2 : e 3 1 - e 3 3 .
1 1 . Q i , B . , C o n g , Q . , L i , P . , M a , G . , G u o , X . , Y e h , J . , . . . & L i , B . A b l a t i o n o f T a k 1 i n o s t e o c l a s t p r o g e n i t o r l e a d s t o d e f e c t s i n s k e l e t a l g r o w t h a n d b o n e r e m o d e l i n g i n m i c e [ J ] . S c i e n t i f i c r e p o r t s , 2 0 1 4 , 4 : 7 1 5 8 .
1 2 . N u r k , G . , J n e s , A . , L u s t , K . , & L u s t , E . A d s o r p t i o n k i n e t i c s o f 2 - m e t h y l - 2 - b u t a n o l o n b i s m u t h s i n g l e c r y s t a l p l a n e s [ J ] . J o u r n a l o f E l e c t r o a n a l y t i c a l C h e m i s t r y , 2 0 0 1 , 5 1 5 ( 1 - 2 ) : 1 7 - 3 2 .
1 3 . Y o k o y a m a , T . , U e d a , M . , A n d o , Y . , & M i z u g u c h i , M . D i s c o v e r y o f - M a n g o s t i n a s a n A m y l o i d o g e n e s i s I n h i b i t o r [ J ] . S c i e n t i f i c r e p o r t s , 2 0 1 5 , 5 : 1 3 5 7 0 .
1 4 . J a i n , P . , V e r m a , P . , X i a , G . , & Y u , J . Q . E n a n t i o s e l e c t i v e a m i n e - f u n c t i o n a l i z a t i o n v i a p a l l a d i u m - c a t a l y s e d C H a r y l a t i o n o f t h i o a m i d e s [ J ] . N a t u r e c h e m i s t r y , 2 0 1 7 , 9 ( 2 ) : 1 4 0 .
1 5 . H a y a s h i K , S a i t o u M . G e n e r a t i o n o f e g g s f r o m m o u s e e m b r y o n i c s t e m c e l l s a n d i n d u c e d p l u r i p o t e n t s t e m c e l l s [ J ] . N a t u r e p r o t o c o l s , 2 0 1 3 , 8 ( 8 ) : 1 5 1 3 .
1 6 . M i y a n o , Y . , K o b a s h i , T . , S h i n j o , H . , K u m a d a , S . , W a t a n a b e , Y . , N i y a , W . , & T a t e i s h i , Y . H e n r y s l a w c o n s t a n t s a n d i n f i n i t e d i l u t i o n a c t i v i t y c o e f f i c i e n t s o f c i s - 2 - b u t e n e , d i m e t h y l e t h e r , c h l o r o e t h a n e , a n d 1 , 1 - d i f l u o r o e t h a n e i n m e t h a n o l , 1 - p r o p a n o l , 2 - p r o p a n o l , 1 - b u t a n o l , 2 - b u t a n o l , i s o b u t a n o l , t e r t - b u t a n o l , 1 - p e n t a n o l , 2 - p e n t a n o l , 3 - p e n t a n o l , 2 - m e t h y l - 1 - b u t a n o l , 3 - m e t h y l - 1 - b u t a n o l , a n d 2 - m e t h y l - 2 - b u t a n o l [ J ] . T h e J o u r n a l o f C h e m i c a l T h e r m o d y n a m i c s , 2 0 0 6 , 3 8 ( 6 ) : 7 2 4 - 7 3 1 .
1 7 . S m i t h , J . , G o l d s m i t h , C . , W a r d , A . , & L e D i e u , R . I G F - I I a m e l i o r a t e s t h e d y s t r o p h i c p h e n o t y p e a n d c o o r d i n a t e l y d o w n - r e g u l a t e s p r o g r a m m e d c e l l d e a t h [ J ] . C e l l d e a t h a n d d i f f e r e n t i a t i o n , 2 0 0 0 , 7 ( 1 1 ) : 1 1 0 9 .
1 8 . S a n k a r s h a n a , T . , Y a d a g i r i , E . , & M u r t h y , J . S . N . P h a s e t r a n s f e r c a t a l y s i s : o x i d a t i o n o f 2 - m e t h y l - 1 - b u t a n o l [ J ] . C h i n e s e J o u r n a l o f C h e m i c a l E n g i n e e r i n g , 2 0 1 4 , 2 2 ( 9 ) : 1 0 0 0 - 1 0 0 4 .
1 9 . R o z o M , L i L , F a n C M . T a r g e t i n g 1 - i n t e g r i n s i g n a l i n g e n h a n c e s r e g e n e r a t i o n i n a g e d a n d d y s t r o p h i c m u s c l e i n m i c e [ J ] . N a t u r e m e d i c i n e , 2 0 1 6 , 2 2 ( 8 ) : 8 8 9 .
2 0 . S v e n s s o n , . , B c k m a n , U . , J o n s s o n , E . , L a r s s o n , R . , & C h r i s t o f f e r s o n , R . C H S 8 2 8 i n h i b i t s n e u r o b l a s t o m a g r o w t h i n m i c e a l o n e a n d i n c o m b i n a t i o n w i t h a n t i a n g i o g e n i c d r u g s [ J ] . P e d i a t r i c r e s e a r c h , 2 0 0 2 , 5 1 ( 5 ) : 6 0 7 .
2 1 . U d d b a c k , I . E . , P e d e r s e n , L . M . , P e d e r s e n , S . R . , S t e f f e n s e n , M . A . , H o l s t , P . J . , T h o m s e n , A . R . , & C h r i s t e n s e n , J . P . C o m b i n e d l o c a l a n d s y s t e m i c i m m u n i z a t i o n i s e s s e n t i a l f o r d u r a b l e T - c e l l m e d i a t e d h e t e r o s u b t y p i c i m m u n i t y a g a i n s t i n f l u e n z a A v i r u s [ J ] . S c i e n t i f i c r e p o r t s , 2 0 1 6 , 6 : 2 0 1 3 7 .