3,3-Dimethylbutyraldehyde

3,3-Dimethylbutyraldehyde is a branched saturated aliphatic aldehyde with an unpleasant odor that is used in the synthesis of perfumes and neotame.^[2]

3,3-Dimethylbutyraldehyde

Names
Preferred IUPAC name 3,3-Dimethylbutanal
Other names Neohexanal 3,3-Dimethylbutyraldehyde 3-Methylisovaleraldehyde tert-Butylacetaldehyde
Identifiers
CAS Number	2987-16-8 Y
3D model (JSmol)	Interactive image
ChemSpider	68812
ECHA InfoCard	100.019.141
EC Number	221-054-3
PubChem CID	76335
UNII	CAM6HD7JKI
CompTox Dashboard (EPA)	DTXSID60183984
InChI InChI=1S/C6H12O/c1-6(2,3)4-5-7/h5H,4H2,1-3H3 Key: LTNUSYNQZJZUSY-UHFFFAOYSA-N
SMILES CC(C)(C)CC=O
Properties
Chemical formula	C6H12O
Molar mass	100.161 g·mol−1
Appearance	clear fluid[1]
Odor	unpleasant
Density	0.798 g/cm3 (at 25 °C (77 °F))
Melting point	−24 °C (−11 °F; 249 K)
Boiling point	104 to 106 °C (219 to 223 °F; 377 to 379 K)
Solubility in water	7.6 g/L
Hazards[1]
GHS labelling:
Pictograms
Hazard statements	H225, H315, H319, H335
Precautionary statements	P210, P302+P352, P305+P351+P338
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Synthesis

It can be synthesized from 3,3-dimethyl-1-butanol via a copper catalyzed dehydrogenation.^[3]