Acetosyringone Structure

Acetosyringone

Chemical Properties

Melting point 124-127 °C(lit.)
Boiling point 293.08°C (rough estimate)
Density  1.2166 (rough estimate)
refractive index  1.5430 (estimate)
FLAVIS Number 07.164 | 4-Hydroxy-3,5-dimethoxyacetophenone
storage temp.  Inert atmosphere,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
pka 8.19±0.23(Predicted)
form  Crystalline Powder
color  Beige to light brown
Odor at 100.00%. odorless
Water Solubility  soluble
BRN  1966119
Henry's Law Constant 5.0×105 mol/(m3Pa) at 25℃, McFall et al. (2020)
InChI 1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3
InChIKey OJOBTAOGJIWAGB-UHFFFAOYSA-N
SMILES COc1cc(cc(OC)c1O)C(C)=O
LogP 1.699 (est)
CAS DataBase Reference 2478-38-8(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 866P45Y84S
NIST Chemistry Reference Ethanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)-(2478-38-8)
EPA Substance Registry System Acetosyringone (2478-38-8)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  2
RTECS  AM8440000
F  10
Hazard Note  Irritant
HS Code  29145090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
1
2 0

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