83258-37-1

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83258-37-1 Structure

Identification	Back Directory
[Name] Urushiol (15:2)
[CAS] 83258-37-1
[Synonyms] Urushiol (15:2) 1,2-Benzenediol, 3-(8Z,11Z)-8,11-pentadecadien-1-yl-
[Molecular Formula] C21H32O2
[MDL Number] MFCD16294840
[MOL File] 83258-37-1.mol
[Molecular Weight] 316.48

Chemical Properties	Back Directory
[Boiling point ] 467.1±33.0 °C(Predicted)
[density ] 0.986±0.06 g/cm3(Predicted)
[storage temp. ] -20°C
[pka] 9.89±0.10(Predicted)
[Major Application] food and beverages
[InChI] 1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h4-5,7-8,15,17-18,22-23H,2-3,6,9-14,16H2,1H3/b5-4-,8-7-
[InChIKey] RMTXUPIIESNLPW-UTOQUPLUSA-N
[SMILES] Oc1c(cccc1CCCCCCC\C=C/C\C=C/CCC)O

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H317
[Precautionary statements ] P261-P272-P280-P333+P313-P362+P364-P501
[WGK Germany ] WGK 3
[Storage Class] 10 - Combustible liquids
[Hazard Classifications] Skin Sens. 1

Hazard Information	Back Directory
[Uses] food and beverages
[Definition] ChEBI: (8Z,11Z)-urushiol III is catechol substituted at position 3 with an (8Z,11Z)-pentadeca-8,11-dien-1-yl group. Stereoisomer of urushiol III (CHEBI:9909) which has (8E,11E) configuration. It has a role as an allergen.

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