502-47-6

Name CITRONELLIC ACID
CAS 502-47-6
EINECS(EC#) 207-939-7
Molecular Formula C10H18O2
MDL Number MFCD00002728
Molecular Weight 170.25
MOL File 502-47-6.mol

Chemical Properties

Appearance CLEAR COLOURLESS TO LIGHT YELLOW LIQUID
Boiling point  121-122 °C1 mm Hg(lit.)
density  0.923 g/mL at 25 °C(lit.)
FEMA  3142
refractive index  n20/D 1.454(lit.)
Fp  >230 °F
storage temp.  Storage temp. 2-8°C
solubility  Almost insoluble in water, soluble in tslcohol and oils.
form  clear liquid
pka 4.78±0.10(Predicted)
color  Colorless to Light yellow
Odor at 10.00 % in dipropylene glycol. green grassy smoky fatty floral
biological source synthetic
Odor Type green
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 Data

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
Signal word  Danger
Hazard statements  H311-H315
Precautionary statements  P280-P302+P352+P312
Hazard Codes  Xn
Risk Statements 
R21:Harmful in contact with skin.
R38:Irritating to the skin.
Safety Statements 
S36/37:Wear suitable protective clothing and gloves .
RIDADR  UN 2810 6.1/PG 3
WGK Germany  3
RTECS  RH3230000
TSCA  Yes
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

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