66-25-1

Name Caproaldehyde
CAS 66-25-1
EINECS(EC#) 200-624-5
Molecular Formula C6H12O
MDL Number MFCD00007027
Molecular Weight 100.16
MOL File 66-25-1.mol

Chemical Properties

Appearance liquid
Melting point  -56 °C
Boiling point  130-131 °C(lit.)
density  0.816 g/mL at 20 °C
vapor density  >1 (vs air)
vapor pressure  10 mm Hg ( 20 °C)
FEMA  2557
refractive index  n20/D 1.4035(lit.)
Fp  90 °F
storage temp.  2-8°C
solubility  6g/l
form  Liquid
color  Clear colorless to slightly yellow
Odor Pungent.
PH 4-5 (4.8g/l, H2O, 20℃)
Stability: Stable. Flammable. Incompatible with oxidizing agents, strong bases, strong reducing agents.
biological source synthetic
Odor Threshold 0.00028ppm
Odor Type green
Water Solubility  4.8 g/L (20 ºC)
Specific Heat Capacity Cp(liquid):210.4J/(g·K),at 25℃
Sensitive  Air Sensitive
JECFA Number 92
Merck  14,1760
BRN  506198
Henry's Law Constant 4.5×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
Major Application flavors and fragrances
Cosmetics Ingredients Functions FRAGRANCE
InChI 1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3
InChIKey JARKCYVAAOWBJS-UHFFFAOYSA-N
SMILES CCCCCC=O
LogP 1.97
CAS DataBase Reference 66-25-1(CAS DataBase Reference)
NIST Chemistry Reference Hexanal(66-25-1)
EPA Substance Registry System 66-25-1(EPA Substance)

Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
Signal word  Warning
Hazard statements  H226-H315-H319
Precautionary statements  P210-P233-P240-P241-P303+P361+P353-P305+P351+P338
Hazard Codes  Xi
Risk Statements 
R10:Flammable.
Safety Statements 
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S16:Keep away from sources of ignition-No smoking .
RIDADR  UN 1207 3/PG 3
WGK Germany  1
RTECS  MN7175000
F  13
Autoignition Temperature 220 °C
Hazard Note  Irritant
TSCA  Yes
REACH Registrations Active
HazardClass  3
PackingGroup  III
HS Code  29121900
Storage Class 3 - Flammable liquids
Hazard Classifications Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
Hazardous Substances Data 66-25-1(Hazardous Substances Data)
Toxicity
LD50 orally in rats: 4.89 g/kg (Smyth)

Hazard Information

Material Safety Data Sheet(MSDS)

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