106-22-9

Name Citronellol
CAS 106-22-9
EINECS(EC#) 203-375-0
Molecular Formula C10H20O
MDL Number MFCD00002935
Molecular Weight 156.27
MOL File 106-22-9.mol

Chemical Properties

Appearance colourless liquid with a characteristic, rose-like, smell
Melting point  77-83 °C(lit.)
alpha  -0.3~+0.3°(D/20℃)(neat)
Boiling point  225 °C(lit.)
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
refractive index  n20/D 1.456(lit.)
Fp  209 °F
storage temp.  2-8°C
solubility  Chloroform, Methanol (Sparingly)
form  Liquid
pka 15.13±0.10(Predicted)
color  Clear almost colorless
Odor at 100.00 %. floral leather waxy rose bud citrus
Stability: Stable. Incompatible with oxidizing agents.
biological source synthetic
Odor Type floral
Water Solubility  SLIGHTLY SOLUBLE
JECFA Number 1219
Merck  14,2330
BRN  1721507
Henry's Law Constant 5.2×100 mol/(m3Pa) at 25℃, Martins et al. (2017)
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3
InChIKey QMVPMAAFGQKVCJ-UHFFFAOYSA-N
SMILES CC(CCO)CC\C=C(\C)C
LogP 3.41 at 25℃
Uses
citronellol is a constituent of plant essential oils. Found abundantly in eucalyptus oil. It is used for masking odor or providing a fragrance component to a cosmetic product.
CAS DataBase Reference 106-22-9(CAS DataBase Reference)
NIST Chemistry Reference 6-Octen-1-ol, 3,7-dimethyl-(106-22-9)
EPA Substance Registry System 106-22-9(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H317-H319
Precautionary statements  P261-P264-P272-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi,N
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
WGK Germany  1
RTECS  RH3400000
Hazard Note  Irritant
TSCA  Yes
REACH Registrations Active
HS Code  29052220
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1B
Safety Profile
Poison by intravenous route. Moderately toxic by ingestion, skin contact, and intramuscular routes. A severe skin irritant. A combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALCOHOLS.
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).

Hazard Information

Material Safety Data Sheet(MSDS)

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