Piperonyl alcohol Structure

Piperonyl alcohol

Chemical Properties

Melting point 50-54 °C (lit.)
Boiling point 112 °C
Density  1.2143 (rough estimate)
refractive index  1.4945 (estimate)
FLAVIS Number 02.205 | Piperonyl alcohol
Flash point >230 °F
storage temp.  Inert atmosphere,Room Temperature
solubility  DMSO : 100 mg/mL (657.25 mM; Need ultrasonic)
form  Crystals or Crystalline Powder
pka 14.36±0.10(Predicted)
color  White
Odor at 100.00 %. sweet powdery vanilla
Odor Type vanilla
Water Solubility  soluble
BRN  136113
InChI 1S/C8H8O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,9H,4-5H2
InChIKey BHUIUXNAPJIDOG-UHFFFAOYSA-N
SMILES OCc1ccc2OCOc2c1
LogP 1.050
CAS DataBase Reference 495-76-1(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 4163K563GS
NIST Chemistry Reference 1,3-Benzodioxole-5-methanol(495-76-1)
EPA Substance Registry System 1,3-Benzodioxole-5-methanol (495-76-1)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P271-P280
Hazard Codes  Xi
Safety Statements  24/25
WGK Germany  3
Hazard Note  Irritant
TSCA  TSCA listed
HS Code  29329970
Storage Class 11 - Combustible Solids
Hazardous Substances Data 495-76-1(Hazardous Substances Data)
NFPA 704:
1
1 0

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