5435-64-3

Name 3,5,5-TRIMETHYLHEXANAL
CAS 5435-64-3
EINECS(EC#) 226-603-0
Molecular Formula C9H18O
MDL Number MFCD00010441
Molecular Weight 142.24
MOL File 5435-64-3.mol

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
refractive index  n20/D 1.421(lit.)
Fp  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
biological source synthetic
Odor Type aldehydic
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)

Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
Signal word  Warning
Hazard statements  H226-H315-H317-H412
Precautionary statements  P210-P273-P280-P302+P352
Hazard Codes  Xi
Risk Statements 
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR  UN 1989 3/PG 3
WGK Germany  1
RTECS  MN7820000
TSCA  TSCA listed
HS Code  2912.19.5000
REACH Registrations Active
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)

Hazard Information

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