| Identification | Back Directory | [Name]
Octyl cyanoacetate | [CAS]
15666-97-4 | [Synonyms]
OCTYL CYANOACETATE
N-OCTYL CYANOACETATE
octyl 2-cyanoacetate
Octyl cyanoacetate 99%
n-Octyl cyanoacetate ,99%
n-Octyl cyanoacetate ,98%
n-Octyl cyanoacetate ,96%
2-cyanoacetic acid octyl ester
Acetic acid, 2-cyano-, octyl ester
ACETIC ACID, 2-CYANO-,OCTYL ESTER (CAS NO.15666-97-4) | [Molecular Formula]
C11H19NO2 | [MDL Number]
MFCD00075425 | [MOL File]
15666-97-4.mol | [Molecular Weight]
197.27 |
| Chemical Properties | Back Directory | [Boiling point ]
95 °C0.11 mm Hg(lit.) | [density ]
0.934 g/mL at 25 °C(lit.) | [refractive index ]
n20/D 1.449(lit.) | [Fp ]
>230 °F | [storage temp. ]
2-8°C | [form ]
liquid | [pka]
3.11±0.10(Predicted) | [Appearance]
Colorless to off-white Liquid | [InChI]
InChI=1S/C11H19NO2/c1-2-3-4-5-6-7-10-14-11(13)8-9-12/h2-8,10H2,1H3 | [InChIKey]
MBCTWXWDQMXVDF-UHFFFAOYSA-N | [SMILES]
C(OCCCCCCCC)(=O)CC#N |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
20/21/22-36/37/38 | [Safety Statements ]
26-37/39 | [RIDADR ]
2810 | [WGK Germany ]
3 | [HazardClass ]
6.(b) | [PackingGroup ]
III | [HS Code ]
29299090 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless liquid | [Uses]
Octyl cyanoacetate may be used in the preparation of a small molecule with a dithienosilole core for the high efficiency solution-processed organic photovoltaic cells. It may be used in the preparation of small molecule DCAO3TBDT with the acceptor-donor-acceptor (A-D-A) structure and benzo[1,2-b:4,5-b′]dithiophene (BDT) as the central building block. |
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