ChemicalBook--->CAS DataBase List--->105-95-3

105-95-3

105-95-3 Structure

105-95-3 Structure
IdentificationMore
[Name]

Ethylene brassylate
[CAS]

105-95-3
[Synonyms]

1,13-TRIDECANEDIOIC ACID ETHYLENE ESTER
1,4-DIOXACYCLOHEPTADECANE-5,17-DIONE
BRASSYLIC ACID ETHYLENE ESTER
ETHYLENBRASSYLATE
ETHYLENE 1,11-UNDECANEDICARBOXYLATE
ETHYLENE BRASSYLATE
ETHYLENE GLYCOL BRASSYLATE
ETHYLENE TRIDECANEDIOATE
ETHYLENE UNDECANEDICARBOXYLATE
FEMA 3543
MUSK NN
TRIDECANEDIOIC ACID CYCLIC ETHYLENE ESTER
1,1’-undecanedicarboxylicacid,esterwithethyleneglycol
1,11-Undecanedicarboxylic acid, ester with ethylene glycol
1,4-Dioxa-5,17-cyclo-heptadecandione
Astratone
Emeressence 1150
emeressence1150
Musk T
muskt
[EINECS(EC#)]

203-347-8
[Molecular Formula]

C15H26O4
[MDL Number]

MFCD03427405
[Molecular Weight]

270.36
[MOL File]

105-95-3.mol
Chemical PropertiesBack Directory
[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)
Safety DataBack Directory
[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).
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethylene glycol-->Polyester-->1,11-Undecanedicarboxylic acid
Hazard InformationBack Directory
[Chemical Properties]

Colorless to pale yellow transparent liquid
[Chemical Properties]

Ethyl.brassylate.has.musk-like.character.and.sweet.odor
[Chemical Properties]

Ethylene brassylate is an artificial fragrance material, with a sweetish, slightly fatty, musk odor. Similarly to the aforementioned 1,12-dodecanedioic ester compound, the ester is obtained by depolymerization of the corresponding polyester. Traditionally, brassylic acid (1,13-tridecanedioic acid) is prepared by ozonolysis of erucic acid
[Occurrence]

Has apparently not been reported to occur in nature.
[Uses]

flavors and fragrances
[Definition]

ChEBI: Ethylene brassylate is a macrolide.
[Preparation]

By esterification of brassylic acid.
[Taste threshold values]

Taste characteristics at 0.5%: musky, sweet, powdery, floral, vanilla and perfumey
[General Description]

Ethylene brassylate is macrocylic compound mainly used as a fragrance ingredient for its musk-like odor.
[Flammability and Explosibility]

Nonflammable
[Trade name]

Musk T® (Takasago), MC-5 (Soda Aromatic)
Spectrum DetailBack Directory
[Spectrum Detail]

Ethylene brassylate(105-95-3)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

105-95-3(sigmaaldrich)
[TCI AMERICA]

Ethylene Glycol Brassylate,>93.0%(GC)(105-95-3)
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