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Key Documents

39855

Sigma-Aldrich

3,3-Dimethylbutyraldehyde

purum, ≥95.0% (GC)

Synonym(s):

3,3-Dimethylbutanal, tert-Butylacetaldehyde

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About This Item

Linear Formula:
(CH3)3CCH2CHO
CAS Number:
Molecular Weight:
100.16
Beilstein/REAXYS Number:
1735829
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:

grade

purum

assay

≥95.0% (GC)

refractive index

n20/D 1.397 (lit.)
n20/D 1.397

bp

104-106 °C (lit.)

density

0.798 g/mL at 25 °C (lit.)

SMILES string

CC(C)(C)CC=O

InChI

1S/C6H12O/c1-6(2,3)4-5-7/h5H,4H2,1-3H3

InChI key

LTNUSYNQZJZUSY-UHFFFAOYSA-N

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Other Notes

Interesting intermediate e.g. for the synthesis of 3-tert-butylpyridine[1]

replaced by

Product No.
Description
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pictograms

FlameExclamation mark

signalword

Danger

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Storage Class

3 - Flammable liquids

wgk_germany

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


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T. Fujii et al.
Chemical & Pharmaceutical Bulletin, 26, 2333-2333 (1978)

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