T71501
Trimethylacetaldehyde
96%
Synonym(s):
Pivalaldehyde, Trimethylacetaldehyde
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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 Level
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
Regulatory Information
危险化学品
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Adrian Méndez et al.
Molecules (Basel, Switzerland), 25(21) (2020-11-04)
Singlet oxygen ene reactions produce 2-(tert-butyl)-4a-hydroperoxy-3-methyl-2,4a, 5,6,7,8-hexahydroquinazolin-4(3H)-one quantitatively during diffusion crystallization of 2-(tert-butyl)-3-methyl-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one in n-hexane/CH2Cl2 solvent mixture. To confirm this photo-oxidation, a 1H-NMR study in CDCl3 was performed with exposure to ambient conditions (light and oxygen), with neither additional reactants
Harry W Gibson et al.
The Journal of organic chemistry, 72(15), 5759-5770 (2007-06-27)
Chiral acid chlorides were reacted with isoquinoline and 6,7-dimethoxy-3,4-dihydroisoquinoline to form diastereomeric Reissert compounds 8-11 and 18-21, respectively. The best diastereoselectivity (80:20) was achieved in formation of the 9-phenylmenthyl derivative 20. The diastereomers of 2-l-menthoxycarbonyl-1,2-dihydroisoquinaldonitriles (S)-8/(R)-8), formed in equal amounts
Tetrahedron Asymmetry, 17, 2659-2659 (2006)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| T71501-100ML | 04061836696856 |
| T71501-5ML | 04061837372322 |
| T71501-25ML | 04061837372315 |