UCSF

ZINC00391896

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 8 Yes

Popular Name: Methyl pivalate Methyl pivalate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10250-48-3 , 598-98-1

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 1.88 4.17 -4.69 0 2 0 26 116.16 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 100-101? Alfa-Aesar
Boiling_Point 100-101° Alfa-Aesar
BP [°C] 101 Acros Organics
BP 101° Oakwood Chemical
BP 102 TCI
Boiling_Point 126-128? Alfa-Aesar
Boiling_Point 126-128° Alfa-Aesar
Melting_Point <-70? Alfa-Aesar
Melting_Point <-70° Alfa-Aesar
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; XN: Harmful Acros Organics
H phrase H225: Highly flammable liquid and vapor Acros Organics
H phrase H225: Highly flammable liquid and vapor; H302: Harmful if swallowed 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; P240: Ground/Bond container and receiving equipment; P270: Do not eat, drink or smoke when using this product; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if y Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R22: Harmful if swallowed. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; S33: Take precautionary measures against static discharges.; S9: Keep container in a well-ventilated place. Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )