104-67-6

Name Undecan-4-olide
CAS 104-67-6
EINECS(EC#) 203-225-4
Molecular Formula C11H20O2
MDL Number MFCD00005405
Molecular Weight 184.28
MOL File 104-67-6.mol

Chemical Properties

Appearance clear colourless liquid
Melting point  164~166℃
Boiling point  164-166 °C/13 mmHg (lit.)
density  0.944 g/mL at 20 °C(lit.)
vapor pressure  0.274Pa at 25℃
FEMA  3091
refractive index  n20/D 1.451
Fp  >230 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Insoluble in water
form  Liquid
color  Clear colorless
Specific Gravity 0.944 (20/4℃)
Odor at 100.00 %. fruity peach creamy fatty lactonic apricot ketonic coconut
biological source synthetic
Odor Type fruity
Water Solubility  158mg/L at 20℃
JECFA Number 233
BRN  81943
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
SKIN CONDITIONING - MISCELLANEOUS
FRAGRANCE
InChI 1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3
InChIKey PHXATPHONSXBIL-UHFFFAOYSA-N
SMILES CCCCCCCC1CCC(=O)O1
LogP 3.6 at 25℃
CAS DataBase Reference 104-67-6(CAS DataBase Reference)
NIST Chemistry Reference 2(3H)-Furanone, 5-heptyldihydro-(104-67-6)
EPA Substance Registry System 104-67-6(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H412
Precautionary statements  P273-P501
Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
S36/37:Wear suitable protective clothing and gloves .
WGK Germany  3
RTECS  YQ2485000
TSCA  Yes
REACH Registrations Active
HS Code  29322090
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Chronic 3
Toxicity
The acute oral LD50 in rats was reported as 18.5 g/kg (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964). Fatty infiltration of liver parenchymal cells occurred in rats fed 13-115 mg y-undecalactone for 5-9 days (Shillinger, 1950).

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

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