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About This Item
Linear Formula:
(CH3)3CCH2CHO
CAS Number:
Molecular Weight:
100.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
221-054-3
Beilstein/REAXYS Number:
1735829
MDL number:
Assay:
95%
Form:
liquid
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
assay
95%
form
liquid
bp
104-106 °C (lit.)
density
0.798 g/mL at 25 °C (lit.)
functional group
aldehyde
Related Categories
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
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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LIN H and LIN J.
Fine and Specialty Chemicals / Jing Xi Yu Zhuan Yong Hua Xue Pin, 15, 005-005 (2005)
A convenient synthesis of 3, 3-dimethylbutyraldehyde.
Guo Z, et al.
Synthetic Communications, 31(21), 3395-3399 (2001)
Synlett, 2548-2548 (2006)
Preparation of 3, 3-Dimethylbutyraldehyde [J].
Guo-qin CHEN, et al.
Journal of Xiamen University (Natural Science), 4, 021-021 (2009)
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