In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2004 | 11 | No |
Popular Name: CITRAL CITRAL
Find On: PubMed — Wikipedia — Google
CAS Numbers: 147060-73-9 , 5392-40-5 , [5392-40-5]
(2E)-3,7-dimethylocta-2,6-dienal
3,7-dimethyl-2,6-octadienal; cis,trans-Citral
5392-40-5; citral; geranal; geranial; geranialdehyde; trans-citral
C01499; Geranial; trans-Citral
CHEBI:14296; CHEBI:5327; CHEBI:24218
citral B;FEMA 2303;Lemonal;Neral
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) | 3.65 | 6.72 | -6.07 | 0 | 1 | 0 | 17 | 152.237 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Molecular_Solubility | 2.763 | Bitter DB |
Boiling_Point | 228-229? | Alfa-Aesar |
Boiling_Point | 228-229° | Alfa-Aesar |
BP [°C] | 229 | Acros Organics |
Purity | 95% | Fluorochem |
Melting_Point | <-10? | Alfa-Aesar |
Melting_Point | <-10° | Alfa-Aesar |
UniProt Database Links | AL1A2_CHICK; AL1A2_HUMAN; AL1A2_MOUSE; AL1A2_RAT; AL1A2_TAEGU; ALDO1_ARATH; DBR_TOBAC; GEDH1_OCIBA; RDH16_HUMAN | ChEBI |
Patent Database Links | EP1067116; EP1067174; EP1179531; EP1543829; EP1552814; EP1666021; EP1705171; EP1767185; EP1884251; EP1990639; GB2153679; US2001014661; US2005042242; US2007184000; US2007190177; US2007224128; US2007224261; US2007231278; US2007231279; US2007258894; US200727 | ChEBI |
UniProt Database Links | GEDH1_OCIBA; GEOA_CASDE; GEOB_CASDE | ChEBI |
H phrase | H315: Causes skin irritation | Acros Organics |
H phrase | H315: Causes skin irritation; H317: May cause an allergic skin reaction | Acros Organics |
Target | Myc proto-oncogene protein(P01106)&Caspase-3(P42574)&Prostaglandin G/H synthase 2(P35354)&Superoxide dismutase [Cu-Zn](P00441) | Herbal Ingredients Targets |
P phrase | P280: Wear eye protection/face protection | Acros Organics |
P phrase | P280: Wear eye protection/face protection; P302+ P352: IF ON SKIN: Wash with plenty of soap and water | Acros Organics |
R phrase | R38: Irritating to skin. | Acros Organics |
R phrase | R38: Irritating to skin.; R43: May cause sensitisation by skin contact. | Acros Organics |
S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
S phrase | S24/25: Avoid contact with skin and eyes.; S37: Wear suitable gloves. | Acros Organics |
Hazard | XI: Irritant | Acros Organics |