Undecan-4-olide Structure

Undecan-4-olide

Chemical Properties

Melting point 164~166℃
Boiling point 164-166 °C/13 mmHg (lit.)
Density  0.949 g/mL at 25 °C (lit.)
vapor pressure  0.274Pa at 25℃
FEMA  3091 | GAMMA-UNDECALACTONE
refractive index  n20/D 1.451
FLAVIS Number 10.002 | Undecano-1,4-lactone
Flash point >230 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Insoluble in water
form  Liquid
Specific Gravity 0.944 (20/4℃)
color  Clear colorless
Odor at 100.00 %. fruity peach creamy fatty lactonic apricot ketonic coconut
Odor Type fruity
biological source synthetic
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)
Substances Added to Food (formerly EAFUS) GAMMA-UNDECALACTONE
FDA 21 CFR 101.30; 150.110; 150.140
FDA UNII QB1T0AG2YL
NIST Chemistry Reference 2(3H)-Furanone, 5-heptyldihydro-(104-67-6)
EPA Substance Registry System 5-Heptyldihydro-2(3H)-furanone (104-67-6)
UNSPSC Code 85151701
NACRES NA.24

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H412
Precautionary statements P273-P501
Hazard Codes  Xi
Risk Statements  36/37/38-52/53
Safety Statements  26-36-37/39-36/37-24/25
WGK Germany  3
RTECS  YQ2485000
TSCA  TSCA listed
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).
NFPA 704:
1
2 0

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