| Identification | More | [Name]
(-)-CITRONELLAL | [CAS]
5949-05-3 | [Synonyms]
3,7-DIMETHYL-6-OCTENAL
(-)-CITRONELLAL
CITRONELLAL, (-)-
L(-)-Citronellal
(S)-(-)-3,7-DIMETHYL-6-OCTENAL
(S)-3,7-DIMETHYL-6-OCTENAL
(S)-(-)-CITRONELLAL
3,7-dimethyl-,(3S)-6-Octenal
7-dimethyl-(s)-6-octena
(-)-Citrnellal
Citrnellal
CITRONELLAL(L-)
(3S)-3,7-dimethyl-6-Octenal
(-)-CITRONELLAL WITH GC
(-)-Citronellal, (3S)-3,7-Dimethyl-6-octenal | [EINECS(EC#)]
227-707-9 | [Molecular Formula]
C10H18O | [MDL Number]
MFCD00075588 | [Molecular Weight]
154.25 | [MOL File]
5949-05-3.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLOURLESS TO PALE YELLOW LIQUID | [Boiling point ]
227.64°C (estimate) | [density ]
0.851 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.447
| [Fp ]
168 °F
| [storage temp. ]
Hygroscopic, Refrigerator, under inert atmosphere | [solubility ]
Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly) | [form ]
Oil | [color ]
Colourless | [Odor]
at 10.00 % in dipropylene glycol. clean herbal citrus | [Odor Type]
citrus | [Optical Rotation]
[α]20/D 15°, neat | [BRN ]
1720790 | [InChI]
1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1 | [InChIKey]
NEHNMFOYXAPHSD-JTQLQIEISA-N | [SMILES]
[H]C(=O)C[C@@H](C)CC\C=C(\C)C | [LogP]
3.482 (est) | [CAS DataBase Reference]
5949-05-3(CAS DataBase Reference) | [EPA Substance Registry System]
6-Octenal, 3,7-dimethyl-, (3S)- (5949-05-3) |
| Safety Data | Back Directory | [Symbol(GHS) ]
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 . | [WGK Germany ]
3
| [F ]
10-23 | [TSCA ]
TSCA listed | [REACH Registrations]
Active | [HS Code ]
29121900 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
CLEAR COLOURLESS TO PALE YELLOW LIQUID | [Uses]
(S)-(-)-Citronellal may be used in the synthesis of bioactive compounds like (+)-hexahydrocannabinol, (S)-isopulegol, machaeriols A and B. | [Definition]
ChEBI: The (3S)-stereoisomer of 3,7-dimethyloct-6-enal (citronellal). | [General Description]
(S)-(-)-Citronellal is a monoterpenoid compound mainly found in Corymbia citriodora and Cymbopogon nardus essential oils. | [Purification Methods]
Fractionally distil it. Alternatively extract it with NaHSO3 solution, wash it with Et2O, then acidify it to decompose the bisulfite adduct and extract with Et2O, dry (Na2SO4), evaporate and distil. Check for purity by hydroxylamine titration. The ORD in MeOH (c 0.167) is: []700 +9o, []589 +11o, []275 +12o and []260 +12o. The semicarbazone has m 85o, and the 2,4-dinitrophenylhydrazone has m 79-80o. [(+)-compound: Tietze & Beifuss Org Synth 71 167 1993, IR: Carroll et al. J Chem Soc 3457 1950, ORD: Djerassi & Krakower J Am Chem Soc 81 237 1959, Beilstein 1 IV 3515.] |
|
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J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
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400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Sigma-Aldrich
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021-61415566 800-8193336 |
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https://www.sigmaaldrich.cn |
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