UCSF

ZINC04623761

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 10 Yes

Popular Name: Cinnamyl alcohol Cinnamyl alcohol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 104-54-1 , 30584-69-1

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) 2.03 -1.07 -4.12 1 1 0 20 134.178 2 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.212 Bitter DB
Boiling_Point 257-258? Alfa-Aesar
Boiling_Point 257-258° Alfa-Aesar
BP [°C] 258 Acros Organics
Mp [°C] 31 - 35 Acros Organics
Melting_Point 32-35? Alfa-Aesar
Melting_Point 32-35° Alfa-Aesar
H phrase H317: May cause an allergic skin reaction Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P272: Contaminated work clothing should not be allowed out of the workplace; P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R43: May cause sensitisation by skin contact. Acros Organics
S phrase S24: Avoid contact with skin. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XN: Harmful Acros Organics

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