UCSF

ZINC01726893

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 7 Yes

Popular Name: trans-2-Hexen-1-ol trans-2-Hexen-1-ol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 928-94-9 , 928-95-0

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 1.75 -2.86 1 1 0 20 100.161 3 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 158 - 160 Acros Organics
Boiling_Point 158-160? Alfa-Aesar
Boiling_Point 158-160° Alfa-Aesar
BP 162 TCI
H phrase H226: Flammable liquid and vapor Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
R phrase R10: Flammable. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics

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