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Home> Encyclopedia > Hot Product Listed E   > Ethyl cinnamate
103-36-6 structure

Ethyl cinnamate

Iupac Name:ethyl (E)-3-phenylprop-2-enoate
CAS No.:103-36-6
EINECS(EC#): 203-104-6
Molecular Weight:176.215
Molecular Formula:C11H12O2 (isomer)
Names and Identifiers
Synonyms

(2E)-3-Phénylacrylate d'éthyle (e)-3-phenyl-acrylic acid ethyl ester (e)-ethyl cinnamate (Z)-Ethyl cinnamate 2-propenoic acid, 3-phenyl-, ethyl ester 2-propenoic acid, 3-phenyl-, ethyl ester, (2E)- 2-propenoic acid, 3-phenyl-, ethyl ester, (e)- 3-phenyl-2-propenoic acid ethyl ester 3-phenyl-2-propenoic acid, ethyl ester 3-phenyl-acrylic acid, ethyl ester 3-phenylpropenoic acid ethyl AC1Q647X ai3-00667 AJ-61316 AK150804 AK431743 AN-24632 benzeneacrylic acid ethyl BIDD:ER0267 brn 1238804 C023P3M5JJ C06359 chebi:4895 CHEMBL318196 cinnamic acid ethyl ester cinnamic acid, ethyl ester cinnamic acid,ethyl ester Cinnamicacid, ethyl ester (6CI,7CI,8CI) CJ-13818 einecs 203-104-6 ethyl (2e)-3-phenyl-2-propenoate ethyl (2e)-3-phenyl-2-propenoate # ethyl (2e)-3-phenylacrylate ethyl (2E)-3-phenylprop-2-enoate ethyl (e)-3-phenylprop-2-enoate ethyl (e)-cinnamate ethyl 3-phenyl-2-propenoate ethyl 3-phenylacrylate ethyl 3-phenylpropenate, natural ethyl 3-phenylpropenoate ethyl benzylideneacetate ethyl beta-phenylacrylate ethyl cinnamate (natural) ethyl cinnamate natural ethyl cinnamate, >=98%, fcc, fg ethyl cinnamate, 99% ethyl cinnamate, natural, >=95%, fg ethyl cinnamate, trans ethyl trans-3-phenylacrylate ethyl trans-cinnamate Ethyl3-phenyl-2-propenoate ethylcinnamate ethylcinnamoate fema no. 2430 I01-7775 KBEBGUQPQBELIU-CMDGGOBGSA-N LS-2716 mfcd00009189 MOLPORT-001-779-802 MOLPORT-009-209-092 nsc 6773 nsc6773 nsc-6773 RTR-030843 SBB060754 SCHEMBL112445 ST24047165 T6872234 TR-030843 trans-3-phenylacrylic acid ethyl ester trans-cinnamic acid ethyl ester trans-ethyl cinnamate wln: 2ov1u1r ZINC12358720

Inchi
InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
InChkey
KBEBGUQPQBELIU-CMDGGOBGSA-N
Canonical Smiles
CCOC(=O)C=CC1=CC=CC=C1
Isomers Smiles
CCOC(=O)/C=C/C1=CC=CC=C1
Properties
Appearance
colorless liquid
Density
1.049
Melting Point
6.5-7.5℃
Boiling Point
271℃
Vapour
0.00729mmHg at 25°C
Refractive Index
1.558-1.561
Flash Point
135℃
Solubility
insoluble
Stability
Stable. Incompatible with strong oxidizing agents, acids, bases, reducing agents. Combustible.
HS Code
2916399090
Storage temp
Refrigerator (+4°C)
Safety and Handling
Risk Statements
R20
Safety Statements
S24/25
Safety

Moderately toxic by ingestion. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
Risk Statements: 20-22
R20:Harmful by inhalation.?
R22:Harmful if swallowed.
Safety Statements: 23-24/25
S23:Do not breathe vapour.?
S24/25:Avoid contact with skin and eyes.
WGK Germany: 1
RTECS: GD9010000

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 4gm/kg (4000mg/kg) ? Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974.
mouse LD50 oral 4gm/kg (4000mg/kg) ? Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974.
rabbit LD50 skin > 5gm/kg (5000mg/kg) ? Food and Cosmetics Toxicology. Vol. 12, Pg. 719, 1974.
rat LD50 oral 4gm/kg (4000mg/kg) ? Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974.

Specification

? Ethyl 3-phenyl propenoate , with CAS number of 103-36-6, can be called (2E)-3-Phénylacrylate d'éthyle ; (Z)-Ethyl cinnamate ; 2-propenoic acid, 3-phenyl-, ethyl ester ; 2-propenoic acid, 3-phenyl-, ethyl ester, (2E)- ; 2-Propenoic acid, 3-phenyl-, ethyl ester, (E)- ; Ethyl (2E)-3-phenyl-2-propenoate ; Ethyl (2E)-3-phenylacrylate ; ethyl (2E)-3-phenylprop-2-enoate . It is a?colourless liquid.

Report

Reported in EPA TSCA Inventory.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:176.215g/mol
  • Molecular Formula:C11H12O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:3
  • Exact Mass:176.084
  • Monoisotopic Mass:176.084
  • Complexity:179
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3A^2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADACgmAIyCIAABACI AiDSCAACAAAgAAAIiAAAAMgIJCKAMRCCMAAggAAIqYcAgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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