3,5,5-TRIMETHYLHEXANAL

Chemical Properties

Melting point	-18°C (estimate)
Boiling point	67-68 °C/2.5 mmHg (lit.)
Density	0.817 g/mL at 25 °C (lit.)
vapor pressure	2.7hPa at 20℃
FEMA	3524 \| 3,5,5-TRIMETHYLHEXANAL
refractive index	n20/D 1.421(lit.)
Flash point	116 °F
storage temp.	Inert atmosphere,Store in freezer, under -20°C
form	clear liquid
color	Colorless to Light yellow
Specific Gravity	0.822
Odor	at 10.00 % in dipropylene glycol. aldehydic dry grassy weedy green citrus fatty natural
Odor Type	aldehydic
biological source	synthetic
Water Solubility	100mg/L at 20℃
JECFA Number	269
Henry's Law Constant	2.0×10^-2 mol/(m³Pa) at 25℃, HSDB (2015)
Cosmetics Ingredients Functions	PERFUMING
InChI	1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3
InChIKey	WTPYRCJDOZVZON-UHFFFAOYSA-N
SMILES	CC(CC=O)CC(C)(C)C
LogP	3.09 at 25℃
CAS DataBase Reference	5435-64-3(CAS DataBase Reference)
EPA Substance Registry System	Hexanal, 3,5,5-trimethyl- (5435-64-3)

Hazard Codes	Xi,Xn
Risk Statements	10-36/37/38-65-52/53-43-36/38
Safety Statements	16-26-36/37/39-62-36/37
RIDADR	UN 1989 3/PG 3
WGK Germany	1
RTECS	MN7820000
TSCA	TSCA listed
HS Code	2912.19.5000
HazardClass	3.2
PackingGroup	III
Storage Class	3 - Flammable liquids
Hazard Classifications	Aquatic Chronic 3 Flam. Liq. 3 Skin Irrit. 2 Skin Sens. 1
Hazardous Substances Data	5435-64-3(Hazardous Substances Data)