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(+)-CITRONELLAL Structure

(+)-CITRONELLAL

Chemical Properties

Melting point 25°C
Boiling point 207 °C(lit.)
Density  0.851 g/mL at 25 °C(lit.)
vapor pressure  33.9Pa at 25℃
refractive index  n20/D 1.448(lit.)
Flash point 185 °F
storage temp.  2-8°C
solubility  Chloroform (Sparingly), Ethyl Acetate (Slightly)
form  Oil
color  Colourless
Odor at 100.00 %. fresh herbal citrus
Odor Type herbal
Water Solubility  88mg/L
Merck  2329
BRN  1720791
InChI 1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1
InChIKey NEHNMFOYXAPHSD-SNVBAGLBSA-N
SMILES C[C@H](CC\C=C(\C)C)CC=O
LogP 3.83 at 25℃
CAS DataBase Reference 2385-77-5(CAS DataBase Reference)
EPA Substance Registry System 6-Octenal, 3,7-dimethyl-, (3R)- (2385-77-5)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
TSCA  TSCA listed
HS Code  2912190090
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

Usage And Synthesis

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