105-95-3

Name Ethylene brassylate
CAS 105-95-3
EINECS(EC#) 203-347-8
Molecular Formula C15H26O4
MDL Number MFCD03427405
Molecular Weight 270.36
MOL File 105-95-3.mol
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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℃
FEMA  3543
refractive index  n20/D 1.47(lit.)
Fp  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
biological source synthetic
Odor Type musk
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)
NIST Chemistry Reference Ethylene brassylate(105-95-3)
EPA Substance Registry System 105-95-3(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315
Precautionary statements  P264-P280-P302+P352+P332+P313+P362+P364
Hazard Codes  Xi
Risk Statements 
R38:Irritating to the 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 .
WGK Germany  2
RTECS  YQ1927500
TSCA  TSCA listed
REACH Registrations Active
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).

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