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About This Item
Linear Formula:
(CH3)3CCH2CHO
CAS Number:
Molecular Weight:
100.16
EC Number:
221-054-3
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
1735829
MDL number:
InChI key
LTNUSYNQZJZUSY-UHFFFAOYSA-N
InChI
1S/C6H12O/c1-6(2,3)4-5-7/h5H,4H2,1-3H3
SMILES string
CC(C)(C)CC=O
grade
purum
assay
≥95.0% (GC)
bp
104-106 °C (lit.)
density
0.798 g/mL at 25 °C (lit.)
Other Notes
Interesting intermediate e.g. for the synthesis of 3-tert-butylpyridine
signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
55.4 °F - closed cup
flash_point_c
13 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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T. Fujii et al.
Chemical & Pharmaceutical Bulletin, 26, 2333-2333 (1978)
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