| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 5 | Yes |
Popular Name: tert-Butanol tert-Butanol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1027511-30-3 , 12/1/2081 12:00:00 AM , 17476-04-9 , 1907-33-1 , 2/3/2172 12:00:00 AM , 2081-12-1 , 2172-02-3 , 21864-27-7 , 21864-30-2 , 24363-36-8 , 32149-57-8 , 33881-97-9 , 36809-75-3 , 4278-43-7 , 556-91-2 , 75-65-0 , 865-47-4 , 865-48-5 , [865-48-5]
"Magnesium di-tert-butoxide, 95%"
"Potassium tert-butoxide [1.0 M solution in THF, J&Kseal]"
"Potassium tert-butoxide [1.8 M solution in THF,J&KSeal]"
"Potassium tert-butoxide, 99%"
"tert-Butanol, 99.5% [ACS reagent]"
1,1-Bis(Trifluoromethyl)-2,2,2-Trichloroethanol [7594-49-2]
1M POTASSIUM TERT-BUTOXIDE in THF
Hafnium tert-butoxide, 99.9% (metals basis excluding Zr), Zr< 0.2%
Lithium hydridotris(tert-butoxy)aluminate
Lithium niobium tert-butoxide, 99+% (metals basis), 5% w/v in tert-butanol
Lithium tantalum tert-butoxide, 99.9% (metals basis), 10% w/v in tert-butanol
Lithium tert-Butoxide (LTB), typ. 20 % solution in THF (typ. 2.2 M)
Lithium tert-butoxide, 0.9M (8 wt.%) solution in 2-MeTHF, AcroSeal®
Lithium tert-butoxide, 1M solution in hexanes, AcroSeal®
Lithium tert-butoxide, 2.2M solution in THF, AcroSeal®
Lithium tert-butoxide, 99.9% (metals basis)
Lithium tri-tert-butoxyaluminum hydride
Lithium tri-tert-butoxyaluminum hydride, 94%
lithium(1+) ion 2-methylpropan-2-olate
methyl-6-(fur-2-yl)-4-(trifluoromethyl)-7-azaindole-2-carboxylate
Potassium tert-butoxide (12% in tetrahydrofuran, ca. 1mol/L)
Potassium tert-butoxide, 1M solution in tert-butanol, AcroSeal®
Potassium tert-butoxide, 2M (25% w/w) solution in 2-MeTHF, AcroSeal®
Potassium tert-butoxide, 98+%, pure
Potassium tert-butoxide, pure, 1.6-1.7M (20 wt.%) solution in THF, AcroSeal®
Potassium tert-butoxide, pure, 1M solution in THF, AcroSeal®
Potassium tert-butoxide, pure, 20 wt.% solution in THF
Potassium tert-butoxide; 1.0M in THF
Sodium amide-sodium tert-butylate complex base
Sodium tert-butoxide, 98%, pure
tert-Butanol, 99.5%, extra pure
tert-Butanol, 99.5%, for analysis
tert-Butyl alcohol, anhydrous, 99.5%
tert-Butyl alcohol, anhydrous, 99.5%, packaged under Argon in resealable ChemSeal^t bottles
tert-Butyl alcohol, anhydrous, 99.8%
tert-Butyl alcohol, anhydrous, 99.8%, packaged under Argon in resealable ChemSeal^t bottles
Zirconium(IV) tert-butoxide, 97+%
Zirconium(IV) tert-butoxide, 99% (metals basis)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.87 | 0.24 | -2.18 | 1 | 1 | 0 | 20 | 74.123 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.54e+02 g/l | DrugBank-experimental |
| Boiling_Point | 110-120?/0.1mm | Alfa-Aesar |
| Boiling_Point | 110-120°/0.1mm | Alfa-Aesar |
| Boiling_Point | 156?/2mm | Alfa-Aesar |
| Boiling_Point | 156°/2mm | Alfa-Aesar |
| Mp [°C] | 180 | Acros Organics |
| Melting_Point | 200-202? | Alfa-Aesar |
| Melting_Point | 200-202° | Alfa-Aesar |
| MP | 23-26° | Oakwood Chemical |
| Mp [°C] | 240 - 258 | Acros Organics |
| Mp [°C] | 25 - 25.5 | Acros Organics |
| MP | 256-258°(dec.) | Oakwood Chemical |
| Melting_Point | 25? | Alfa-Aesar |
| Melting_Point | 25° | Alfa-Aesar |
| BP [°C] | 68 - 70 | Acros Organics |
| BP | 82 | TCI |
| BP [°C] | 83 | Acros Organics |
| Boiling_Point | 83? | Alfa-Aesar |
| Boiling_Point | 83° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| Boiling_Point | 90?/5mm | Alfa-Aesar |
| Boiling_Point | 90°/5mm | Alfa-Aesar |
| purity | 95 | Enamine Building Blocks |
| Purity | 99% | Fluorochem |
| Melting_Point | ca 150? dec. | Alfa-Aesar |
| Melting_Point | ca 150° dec. | Alfa-Aesar |
| Melting_Point | ca 255? dec. | Alfa-Aesar |
| Melting_Point | ca 255° dec. | Alfa-Aesar |
| Melting_Point | ca 319? dec. | Alfa-Aesar |
| Melting_Point | ca 319° dec. | Alfa-Aesar |
| Patent Database Links | EP0812845; EP0816337; EP0816347; EP0987259; EP1016665; EP1024137; EP1026156; EP1055671; EP1074548; EP1081146; EP1088828; EP1180516; EP1182204; EP1352687; EP1403267; EP1426376; EP1505072; EP1564215; EP1580193; EP1604649; EP1604694; EP1666476; EP1674458; EP | ChEBI |
| Hazard | F: Highly flammable | Acros Organics |
| Hazard | F: Highly flammable; C: Corrosive | Acros Organics |
| Hazard | F: Highly flammable; C: Corrosive; N: Dangerous for the environment | Acros Organics |
| Hazard | F: Highly flammable; XI: Irritant | Acros Organics |
| Hazard | F: Highly flammable; XN: Harmful | Acros Organics |
| H phrase | H225: Highly flammable liquid and vapor; H314: Causes severe skin burns and eye damage; EUH014: Reacts violently with water; EUH019: May form explosive peroxides | Acros Organics |
| H phrase | H225: Highly flammable liquid and vapor; H314: Causes severe skin burns and eye damage; H335: May cause respiratory irritation; EUH014: Reacts violently with water; EUH019: May form explosive peroxides | Acros Organics |
| H phrase | H225: Highly flammable liquid and vapor; H332: Harmful if inhaled; H314: Causes severe skin burns and eye damage; H335: May cause respiratory irritation; EUH014: Reacts violently with water | Acros Organics |
| H phrase | H228: Flammable solid | Acros Organics |
| H phrase | H228: Flammable solid; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H332: Harmful if inhaled; EUH014: Reacts violently with water | Acros Organics |
| H phrase | H251: Self-heating; may catch fire | Acros Organics |
| H phrase | H251: Self-heating; may catch fire; H314: Causes severe skin burns and eye damage; EUH014: Reacts violently with water | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H225: Highly flammable liquid and vapor; EUH019: May form explosive peroxides; EUH014: Reacts violently with water; H335: May cause respiratory irritation; H351: Suspected of causing cancer | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H228: Flammable solid; H252: Self-heating in large quantities; may catch fire; EUH014: Reacts violently with water | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H228: Flammable solid; H302: Harmful if swallowed; EUH014: Reacts violently with water | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H335: May cause respiratory irritation; EUH019: May form explosive peroxides; H225: Highly flammable liquid and vapor; H351: Suspected of causing cancer; EUH014: Reacts violently with water | Acros Organics |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H335: May cause respiratory irritation; H332: Harmful if inhaled; H225: Highly flammable liquid and vapor | Acros Organics |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H314: Causes severe skin burns and eye damage; EUH019: May form explosive peroxides; H225: Highly flammable liquid and vapor; H351: Suspected of causing cancer; EUH014: Reacts violently with water | Acros Organics |
| H phrase | H336: May cause drowsiness or dizziness | Acros Organics |
| H phrase | H336: May cause drowsiness or dizziness; H411: Toxic to aquatic life with long lasting effects; H314: Causes severe skin burns and eye damage; H373: May cause damage to organs through prolonged or repeated exposure; H304: May be fatal if swallowed and ent | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P280: Wear eye protection/face protection; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for seve | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lense | Acros Organics |
| P phrase | P235 + P410: Keep cool. Protect from sunlight | Acros Organics |
| P phrase | P235 + P410: Keep cool. Protect from sunlight; P280: Wear eye protection/face protection; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contac | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P3 | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove conta | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if pres | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, | Acros Organics |
| R phrase | R11: Highly flammable. | Acros Organics |
| R phrase | R11: Highly flammable.; R14: Reacts violently with water.; R19: May form explosive peroxides.; R34: Causes burns.; R37: Irritating to respiratory system.; R40: Limited evidence of a carcinogenic effect. | Acros Organics |
| R phrase | R11: Highly flammable.; R14: Reacts violently with water.; R19: May form explosive peroxides.; R35: Causes severe burns. | Acros Organics |
| R phrase | R11: Highly flammable.; R14: Reacts violently with water.; R19: May form explosive peroxides.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| R phrase | R11: Highly flammable.; R14: Reacts violently with water.; R20: Harmful by inhalation.; R35: Causes severe burns.; R37: Irritating to respiratory system. | Acros Organics |
| R phrase | R11: Highly flammable.; R14: Reacts violently with water.; R20: Harmful by inhalation.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| R phrase | R11: Highly flammable.; R14: Reacts violently with water.; R22: Harmful if swallowed.; R34: Causes burns. | Acros Organics |
| R phrase | R11: Highly flammable.; R14: Reacts violently with water.; R34: Causes burns.; R48/20: Harmful : danger of serious damage to health by prolonged exposure through inhalation.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the a | Acros Organics |
| R phrase | R11: Highly flammable.; R14: Reacts violently with water.; R35: Causes severe burns. | Acros Organics |
| R phrase | R11: Highly flammable.; R19: May form explosive peroxides.; R35: Causes severe burns.; R37: Irritating to respiratory system.; R14: Reacts violently with water.; R40: Limited evidence of a carcinogenic effect. | Acros Organics |
| R phrase | R11: Highly flammable.; R19: May form explosive peroxides.; R35: Causes severe burns.; R37: Irritating to respiratory system.; R40: Limited evidence of a carcinogenic effect.; R14: Reacts violently with water. | Acros Organics |
| R phrase | R11: Highly flammable.; R20: Harmful by inhalation.; R36/37: Irritating to eyes and respiratory system. | Acros Organics |
| S phrase | S8: Keep container dry. | Acros Organics |
| S phrase | S8: Keep container dry.; S16: Keep away from sources of ignition - No smoking.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protectio | Acros Organics |
| S phrase | S9: Keep container in a well-ventilated place. | Acros Organics |
| S phrase | S9: Keep container in a well-ventilated place.; S16: Keep away from sources of ignition - No smoking.; S29: Do not empty into drains.; S33: Take precautionary measures against static discharges.; S36/37/39: Wear suitable protective clothing, gloves and ey | Acros Organics |
| S phrase | S9: Keep container in a well-ventilated place.; S16: Keep away from sources of ignition - No smoking.; S46: If swallowed, seek medical advice immediately and show this container or label. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.