1117-61-9

Name (R)-(+)-BETA-CITRONELLOL
CAS 1117-61-9
EINECS(EC#) 214-250-5
Molecular Formula C10H20O
MDL Number MFCD00063215
Molecular Weight 156.27
MOL File 1117-61-9.mol

Chemical Properties

Melting point  -4.05°C (estimate)
Boiling point  112-113 °C12 mm Hg(lit.)
density  0.857 g/mL at 25 °C(lit.)
vapor pressure  ~0.02 mm Hg ( 25 °C)
refractive index  n20/D 1.456(lit.)
Fp  213 °F
storage temp.  2-8°C
solubility  Chloroform (Sparingly, Sonicated), Ethyl Acetate, Methanol (Slightly)
form  Oil
pka 15.13±0.10(Predicted)
color  Colourless
Odor at 100.00 %. citronella oil rose leaf oily petal
Odor Type floral
Optical Rotation [α]19/D +5.3°, neat
BRN  1721506
Cosmetics Ingredients Functions PERFUMING
FRAGRANCE
InChI 1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1
InChIKey QMVPMAAFGQKVCJ-SNVBAGLBSA-N
SMILES C[C@@H](CCO)CC\C=C(\C)C
LogP 3.239 (est)
CAS DataBase Reference 1117-61-9(CAS DataBase Reference)
EPA Substance Registry System 6-Octen-1-ol, 3,7-dimethyl-, (3R)- (1117-61-9)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
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 .
RIDADR  3082
WGK Germany  3
TSCA  TSCA listed
REACH Registrations Active
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

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