364428

(S)-(−)-Citronellic acid

98%

• Synonym(s): (S)-(−)-3,7-Dimethyl-6-octenoic acid
• Linear Formula: (CH₃)₂C=CHCH₂CH₂CH(CH₃)CH₂CO₂H
• CAS Number: 2111-53-7
• Molecular Weight: 170.25
• NACRES: NA.22
• PubChem Substance ID: 24862429
• UNSPSC Code: 12352002
• MDL number: MFCD00134278
• Assay: 98%
• Form: liquid

Properties

• Quality Segment: 100
• assay: 98%
• form: liquid
• optical activity: [α]25/D −8°, neat
• refractive index: n20/D 1.453 (lit.)
• bp: 115-120 °C/0.4 mmHg (lit.)
• density: 0.926 g/mL at 25 °C (lit.)
• functional group: carboxylic acid
• SMILES string: C[C@@H](CC\C=C(/C)C)CC(O)=O
• 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)/t9-/m0/s1
• InChI key: GJWSUKYXUMVMGX-VIFPVBQESA-N

Description

Application

(S)-(-)-Citronellic acid may be used in the synthesis of trisubstituted piperidine substructures of the veratramine and jervine type, that can be building blocks for developing cyclopamine analogs.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Codes: H315
• Hazard Classifications: Skin Irrit. 2
• Storage Class: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point (°F): >235.4 °F - closed cup
• Flash Point (°C): > 113 °C - closed cup
• PPE (personal protective equipment): Eyeshields, Gloves, type ABEK (EN14387) respirator filter