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About This Item
Linear Formula:
(CH3)3CCHO
CAS Number:
Molecular Weight:
86.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
211-134-6
Beilstein/REAXYS Number:
506060
MDL number:
Assay:
96%
Quality Segment
assay
96%
refractive index
n20/D 1.378 (lit.)
bp
74 °C/730 mmHg (lit.)
mp
6 °C (lit.)
density
0.793 g/mL at 25 °C (lit.)
storage temp.
2-8°C
SMILES string
[H]C(=O)C(C)(C)C
InChI
1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3
InChI key
FJJYHTVHBVXEEQ-UHFFFAOYSA-N
Application
Employed in a study of the asymmetric cyanation of aldehydes with TMS-CN and a chiral vandium (V)-salen complex.
Commonly used building block in aldol condensation reactions.
signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
3.2 °F - closed cup
flash_point_c
-16 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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