(S)-(-)-Citronellal

Base Information Edit

Chemical Name:(S)-(-)-Citronellal
CAS No.:5949-05-3
Deprecated CAS:951036-04-7
Molecular Formula:C10H18 O
Molecular Weight:154.252
Hs Code.:29121900
European Community (EC) Number:227-707-9
DSSTox Substance ID:DTXSID2044476
Nikkaji Number:J66.806K
Wikidata:Q27105293
Metabolomics Workbench ID:28010
ChEMBL ID:CHEMBL2426622
Mol file:5949-05-3.mol

Synonyms:(-)-Citronellal;(S)-(-)-Citronellal;5949-05-3;(S)-3,7-Dimethyloct-6-enal;(3S)-3,7-dimethyloct-6-enal;(S)-citronellal;(3S)-3,7-dimethyl-6-octenal;(S)-(-)-3,7-Dimethyl-6-octenal;(3S)-(-)-Citronellal;6-Octenal, 3,7-dimethyl-, (3S)-;(S)?-?(-?)?-?Citronellal;CHEBI:368;DTXSID2044476;(S)-3,7-Dimethyl-6-octenal;(-)citronellal;()-Citronellal;(-) citronellal;(-)-itronellal;MFCD00075588;(-?)?-?Citronellal;(S)-(-)-itronellal;3(S)-CITRONELAL;(S)-( ndash )-Citronellal;SCHEMBL726161;CHEMBL2426622;DTXCID0024476;(S)-(-)-Citronellal, 96%;(S)-3,7-dimethyloct-6-en al;EINECS 227-707-9;Tox21_303980;s6164;6-Octenal, 3,7-dimethyl-, (S)-;AKOS028109019;HY-111664A;LMPR0102010011;NCGC00357204-01;AS-56689;CAS-5949-05-3;CS-0101815;D89409;EN300-175192;Q27105293;(-)-Citronellal, purum, >=98.0% (sum of enantiomers, GC)

Suppliers and Price of (S)-(-)-Citronellal

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
(-)-Citronellal
25ml
$ 660.00

TCI Chemical
(-)-Citronellal >96.0%(GC)
5mL
$ 50.00

TCI Chemical
(-)-Citronellal >96.0%(GC)
25mL
$ 142.00

Sigma-Aldrich
(S)-(?)-Citronellal 96%
5g
$ 113.00

Sigma-Aldrich
(S)-(?)-Citronellal 96%
1g
$ 39.20

Chem-Impex
(-)-Citronellal,96%(GC) 96%(GC)
25ML
$ 154.56

Chem-Impex
(-)-Citronellal,96%(GC) 96%(GC)
5ML
$ 47.04

Biosynth Carbosynth
(S)-(?)-Citronellal
10 g
$ 90.00

Biosynth Carbosynth
(S)-(?)-Citronellal
5 g
$ 60.00

Biosynth Carbosynth
(S)-(?)-Citronellal
100 g
$ 580.00

Total 20 raw suppliers

Chemical Property of (S)-(-)-Citronellal Edit

Chemical Property:

Vapor Pressure:0.215mmHg at 25°C
Refractive Index:n20/D 1.447
Boiling Point:208.4°C at 760 mmHg
Flash Point:168 °F
PSA：17.07000
Density:0.851 g/mL at 25 °C(lit.)
LogP:2.95790
Storage Temp.:Hygroscopic, Refrigerator, under inert atmosphere
Solubility.:Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:154.135765193
Heavy Atom Count:11
Complexity:132

Purity/Quality:

99.9% ^*data from raw suppliers

(-)-Citronellal ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCC=C(C)C)CC=O
Isomeric SMILES:C[C@@H](CCC=C(C)C)CC=O
Uses (S)-(-)-Citronellal may be used in the synthesis of bioactive compounds like (+)-hexahydrocannabinol, (S)-isopulegol, machaeriols A and B.

Technology Process of (S)-(-)-Citronellal

There total 34 articles about (S)-(-)-Citronellal which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

: 141-27-5,96680-15-8
3,7-dimethyl-2,6-octadienal

: 5949-05-3
(S)-Citronellal

Guidance literature:: With aluminum oxide; (acetylacetonato)dicarbonyl rhodium(I); hydrogen; (2S,3S)-2,3-bis(diphenylphosphino)butane; In toluene; at 25 - 30 ℃; for 26h; under 60006 Torr; Temperature; Autoclave;

Reference yield: 99.0%

: 106-26-3,96680-15-8
cis-3,7-dimethyl-2,6-octadienal

: 5949-05-3
(S)-Citronellal

: 2385-77-5
(R)-Citronellal

Guidance literature:: With dicarbonyl(acetylacotonato)rhodium(I); carbon monoxide; (R,R)-chiraphos; hydrogen; iron; potassium hydroxide; at 20 - 60 ℃; for 21h; under 6000.6 Torr; Pressure; Temperature; Reagent/catalyst; Inert atmosphere; Autoclave;

Reference yield: 99.0%

: 141-27-5,96680-15-8
3,7-dimethyl-2,6-octadienal

: 5949-05-3
(S)-Citronellal

: 2385-77-5
(R)-Citronellal

Guidance literature:: 3,7-dimethyl-2,6-octadienal; With iron; potassium hydroxide; at 60 ℃; for 6h; under 37503.8 Torr;

With carbon monoxide; hydrogen; at 90 ℃; for 24h; under 3750.38 - 60006 Torr;