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alpha-Angelica lactone Structure

alpha-Angelica lactone

Chemical Properties

Melting point 16 °C
Boiling point 56 °C/12 mmHg
Density  1.10
refractive index  1.45
FEMA  3293 | 4-HYDROXY-3-PENTENOIC ACID LACTONE
Flash point 68 °C
storage temp.  2-8°C
solubility  Chloroform, Ethyl Acetate
pka pK1:4.3 (25°C)
form  clear liquid
color  Light orange to Yellow to Green
Specific Gravity 1.101.092
Odor at 10.00 % in dipropylene glycol. sweet solvent nutty tonka coumarin tobacco
Odor Type coconut
biological source synthetic
Water Solubility  5 g/100 mL (25 ºC)
Merck  14,647
JECFA Number 221
BRN  108394
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3
InChIKey QOTQFLOTGBBMEX-UHFFFAOYSA-N
SMILES CC1=CCC(=O)O1
LogP 0.84
CAS DataBase Reference 591-12-8(CAS DataBase Reference)
NIST Chemistry Reference 2(3H)-Furanone, 5-methyl-(591-12-8)
EPA Substance Registry System 5-Methyl-2(3H)-furanone (591-12-8)

Safety Information

Safety Statements  24/25
RIDADR  NA 1993 / PGIII
WGK Germany  2
RTECS  LU5075000
F  10-21
TSCA  TSCA listed
HS Code  2932209090
Storage Class 10 - Combustible liquids
Hazard Classifications Skin Sens. 1
Toxicity LD50 orl-mus: 2800 mg/kg DCTODJ 3,249,80

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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