| Identification | Back Directory | [Name]
(S)-(-)-3,7-DIMETHYL-6-OCTENOIC ACID | [CAS]
2111-53-7 | [Synonyms]
(s)-(-)-citronellic
(S)-(-)-CITRONELLIC ACID
(3S)-3,7-Dimethyl-6-octenoic acid
(S)-(-)-3,7-DIMETHYL-6-OCTENOIC ACID | [Molecular Formula]
C10H18O2 | [MDL Number]
MFCD00134278 | [MOL File]
2111-53-7.mol | [Molecular Weight]
170.25 |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid | [Boiling point ]
115-120 °C0.4 mm Hg(lit.)
| [density ]
0.926 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.453(lit.)
| [Fp ]
>230 °F
| [form ]
liquid | [pka]
4.78±0.10(Predicted) | [Stability:]
Stable. Combustible. Incompatible with strong oxidizing agents. | [Optical Rotation]
[α]25/D 8°, neat | [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 | [InChIKey]
GJWSUKYXUMVMGX-VIFPVBQESA-N | [SMILES]
C[C@@H](CC\C=C(/C)C)CC(O)=O |
| Hazard Information | Back Directory | [Chemical Properties]
colourless liquid | [Uses]
(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. | [Definition]
ChEBI: (S)-citronellic acid is a citronellic acid that has (S)-configuration. It is a conjugate acid of a (S)-citronellate. It is an enantiomer of a (R)-citronellic acid. |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
38 | [WGK Germany ]
3
| [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Skin Irrit. 2 |
|
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Sigma-Aldrich
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