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CITRONELLIC ACID Structure

CITRONELLIC ACID

Chemical Properties

Boiling point 121-122 °C1 mm Hg(lit.)
Density  0.923 g/mL at 25 °C(lit.)
FEMA  3142 | 3,7-DIMETHYL-6-OCTENOIC ACID
refractive index  n20/D 1.454(lit.)
Flash point >230 °F
storage temp.  Storage temp. 2-8°C
solubility  Almost insoluble in water, soluble in tslcohol and oils.
pka 4.78±0.10(Predicted)
form  clear liquid
color  Colorless to Light yellow
Odor Faint, fresh-green, somewhat grassy odor
Odor Type green
biological source synthetic
Water Solubility  Insoluble in water.
JECFA Number 1221
Cosmetics Ingredients Functions ANTI-SEBORRHEIC
ANTIMICROBIAL
FRAGRANCE
InChI 1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)
InChIKey GJWSUKYXUMVMGX-UHFFFAOYSA-N
SMILES CC(CC\C=C(\C)C)CC(O)=O
LogP 3.35
CAS DataBase Reference 502-47-6(CAS DataBase Reference)
EPA Substance Registry System 6-Octenoic acid, 3,7-dimethyl- (502-47-6)

Safety Information

Hazard Codes  Xn
Risk Statements  21-38
Safety Statements  36/37
RIDADR  UN 2810 6.1/PG 3
WGK Germany  3
RTECS  RH3230000
TSCA  TSCA listed
HazardClass  6.1
PackingGroup  III
HS Code  29161995
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Dermal
Skin Irrit. 2

MSDS

Usage And Synthesis

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