Ethylene brassylate Structure

Ethylene brassylate

Chemical Properties

Melting point -8 °C
Boiling point 138-142 °C1 mm Hg(lit.)
Density  1.042 g/mL at 25 °C(lit.)
vapor pressure  0.017Pa at 20℃
refractive index  n20/D 1.47(lit.)
FEMA  3543 | ETHYLENE BRASSYLATE
FLAVIS Number 09.533 | Ethyl brassylate
Flash point 200 °F
storage temp.  Storage temp. 2-8°C
form  clear liquid
color  Colorless to Light yellow
Odor at 100.00 %. powdery sweet floral ambrette musk woody
Odor Type musk
biological source synthetic
Viscosity 129mm2/s
Water Solubility  14.8mg/L at 20℃
JECFA Number 626
Henry's Law Constant 5.3×101 mol/(m3Pa) at 25℃, Dupeux et al. (2022)
Major Application flavors and fragrances
Cosmetics Ingredients Functions FRAGRANCE
TONIC
InChI 1S/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2
InChIKey XRHCAGNSDHCHFJ-UHFFFAOYSA-N
SMILES O=C1CCCCCCCCCCCC(=O)OCCO1
LogP 4.3 at 25℃
CAS DataBase Reference 105-95-3(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) ETHYL BRASSYLATE
EWG's Food Scores 1
FDA UNII 9A87HC7ROD
NIST Chemistry Reference Ethylene brassylate(105-95-3)
EPA Substance Registry System 1,4-Dioxacycloheptadecane-5,17-dione (105-95-3)
UNSPSC Code 12164502
NACRES NA.21
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Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315
Precautionary statements P264-P280-P302+P352+P332+P313+P362+P364
Hazard Codes  Xi
Risk Statements  38
Safety Statements  26-36
WGK Germany  2
RTECS  YQ1927500
TSCA  TSCA listed
HS Code  29171900
Storage Class 10 - Combustible liquids
Hazard Classifications Skin Irrit. 2
Toxicity Both the acute oral LD50 value in rats and the dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1973).
NFPA 704:
0
2 0

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