| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 10 | Yes |
Popular Name: Cinnamyl alcohol Cinnamyl alcohol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 104-54-1 , 30584-69-1 , 4407-36-7 , [104-54-1]
"Cinnamyl alcohol, 98% [trans]"
(E)-3-phenyl-2-propen-1-ol(E)-cinnamyl alcohol; Cinnamyl alcohol; bmse010256
104-54-1; 3-Phenyl-2-propen-1-ol; C02394; Cinnamyl alcohol; Styrylcarbinol
CHEBI:23254; CHEBI:23255; CHEBI:13996; CHEBI:3714
CINNAMYL-ALC; cinnamic alcohol; cinnamyl alcohol
Trans-Cinnamyl Alcohol [104-54-1]; (3-Phenyl-2-propene-1-ol)
| 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 | 3.09 | -4.58 | 1 | 1 | 0 | 20 | 134.178 | 2 | ↓ |
| 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 | 30-33 °C(lit.) | Indofine |
| Mp [°C] | 31 - 35 | Acros Organics |
| Melting_Point | 32-35? | Alfa-Aesar |
| Melting_Point | 32-35° | Alfa-Aesar |
| MP | 33 - 35 | Enamine Building Blocks |
| MP | 33-35o C | Indofine |
| MP | 33...35 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | Fluorochem |
| UniProt Database Links | ADHN_RHOER; GEDH1_OCIBA; HQGT_RAUSE; MAOX_PHAVU; PERX_NICSY; PERX_TOBAC; ST1C1_MOUSE | ChEBI |
| Patent Database Links | EP1477488; EP1666021; EP1705171; EP1767185; EP1873156; US2007184000; US2007224261; US2007292540; WO2007109804 | ChEBI |
| 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 |
| SOLUBILITY | Solubility is Limited water | Indofine |
| Patent Database Links | US2007269379 | ChEBI |
| Hazard | XI: Irritant | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
