Citronellic Acid , 95% , 502-47-6

Synonym(s):
3,7-Dimethyl-6-octenoic acid

CAS NO.：502-47-6

Empirical Formula: C10H18O2

Molecular Weight: 170.25

MDL number: MFCD00002728

EINECS: 207-939-7

PRODUCT 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)

Description and Uses

Citronellic acid was used in synthesis of stereoisomers of 3,11- dimethylnonacosan-2-one and 29-hydroxy-3,11-dimethylnonacosan-2-one.

Safety

• Symbol(GHS): GHS06
• Signal word: Danger
• Hazard statements: H311-H315
• Precautionary statements: P280-P302+P352+P312
• PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
• 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