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359904

Sigma-Aldrich

3,3-Dimethylbutyraldehyde

95%

Synonym(s):

3,3-Dimethylbutanal, tert-Butylacetaldehyde

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About This Item

Linear Formula:
(CH3)3CCH2CHO
CAS Number:
2987-16-8
Molecular Weight:
100.16
Beilstein/REAXYS Number:
1735829
EC Number:
221-054-3
MDL number:
MFCD00042807
UNSPSC Code:
12352100
PubChem Substance ID:
24862120
NACRES:
NA.22

assay

95%

form

liquid

refractive index

n20/D 1.397 (lit.)

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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accessory

Product No.
Description
Pricing

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

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

target_organs

Respiratory system

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

Certificates of Analysis (COA)

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A convenient synthesis of 3, 3-dimethylbutyraldehyde.
Guo Z, et al.
Synthetic Communications, 31(21), 3395-3399 (2001)
LIN H and LIN J.
Fine and Specialty Chemicals / Jing Xi Yu Zhuan Yong Hua Xue Pin, 15, 005-005 (2005)
Preparation of 3, 3-Dimethylbutyraldehyde [J].
Guo-qin CHEN, et al.
Journal of Xiamen University (Natural Science), 4, 021-021 (2009)
Synlett, 2548-2548 (2006)

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