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Citronellol Structure

Citronellol

Chemical Properties

Melting point 77-83 °C(lit.)
Boiling point 225 °C(lit.)
alpha  -0.3~+0.3°(D/20℃)(neat)
Density  0.857 g/mL at 25 °C(lit.)
vapor density  5.4 (vs air)
vapor pressure  ~0.02 mm Hg ( 25 °C)
FEMA  2309 | DL-CITRONELLOL
refractive index  n20/D 1.456(lit.)
Flash point 209 °F
storage temp.  2-8°C
solubility  Chloroform, Methanol (Sparingly)
pka 15.13±0.10(Predicted)
form  Liquid
color  Clear almost colorless
Odor at 100.00 %. floral leather waxy rose bud citrus
Odor Type floral
Water Solubility  SLIGHTLY SOLUBLE
Merck  14,2330
JECFA Number 1219
BRN  1721507
Stability Stable. Incompatible with oxidizing agents.
InChIKey QMVPMAAFGQKVCJ-UHFFFAOYSA-N
LogP 3.41 at 25℃
Substances Added to Food (formerly EAFUS) DL-CITRONELLOL
CAS DataBase Reference 106-22-9(CAS DataBase Reference)
EWG's Food Scores 2-5
FDA UNII 565OK72VNF
NIST Chemistry Reference 6-Octen-1-ol, 3,7-dimethyl-(106-22-9)
EPA Substance Registry System Citronellol (106-22-9)

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H315-H317-H319
Precautionary statements P261-P264-P272-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi,N
Risk Statements  36/37/38-51/53-43-36/38
Safety Statements  26-36-24/25-61-37-24
WGK Germany  1
RTECS  RH3400000
Hazard Note  Irritant
TSCA  Yes
HS Code  29052220
Hazardous Substances Data 106-22-9(Hazardous Substances Data)
Toxicity The acute oral LD50 value in rats was reported as 3.45 g/kg (3.21-3.69 g/kg) (Moreno, 1973). The acute dermal LE>50 value in rabbits was reported as 2.65 g/kg (1.78-3.52 g/kg) (Moreno, 1973). The im LD50 value in mice was reported as 4 g/kg (Northover & Verghese, 1962).
NFPA 704:
1
0

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