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Home> Hot Product Listed E   > Ethyl benzoate
93-89-0 structure

Ethyl benzoate

Iupac Name:ethyl benzoate
CAS No.:93-89-0
EINECS(EC#): 202-284-3
Molecular Weight:150.177
Molecular Formula:C9H10O2 (isomer)
Names and Identifiers
Synonyms

BENZOIC ACID ETHYL ESTER BENZOIC ETHER ETHYL BENZENECARBOXYLATE ETHYL BENZOATE FOR SYNTHESIS 1 L ETHYL BENZOATE FOR SYNTHESIS 250 ML Ethyl benzoate Vetec(TM) reagent grade, 98% Ethyl benzoate, Standard for GC,>99.5%(GC)

Inchi
InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChkey
MTZQAGJQAFMTAQ-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C1=CC=CC=C1
Properties
Appearance
clear, colorless to pale yellow liquid
Density
1.044
Melting Point
-34 °C
Boiling Point
211.7°Cat760mmHg
Flash Point
88.9°C
Solubility
INSOLUBLE
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
HS Code
29163100
Storage temp
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety and Handling
Hazard Codes
N
Risk Statements
51/53
Safety Statements
S24/25
Safety

Safety Information of Ethyl benzoate (CAS NO.93-89-0):
Safety Statements: 24/25 
S24/25: Avoid contact with skin and eyes.
WGK Germany: 1
RTECS: DH0200000
HS Code: 29163100
Moderately toxic by ingestion. Mildly toxic by skin contact. A skin and eye irritant. Combustible liquid when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo skin 10gm/kg (10000mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: MUSCLE WEAKNESS

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 358, 1945.
rabbit LD50 oral 2630mg/kg (2630mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 358, 1945.
rat LD50 oral 2100mg/kg (2100mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 358, 1945.

PackingGroup
II; III
Transport
无资料 
Report

Reported in EPA TSCA Inventory.

Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 10_100 view >
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Symrise AG 2015
more >
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

Computational chemical data
  • Molecular Weight:150.177g/mol
  • Molecular Formula:C9H10O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.6
  • Exact Mass:150.068
  • Monoisotopic Mass:150.068
  • Complexity:126
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADACgmAIyCIAABACI AiDSCAACAAAkAAAIiAEACMgIJjKANRiCMQAkwAEIqYeIyCCOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:86-311-66600578
  • Fax:86-311-66600576
  • Tel:86-25-52113793
  • Fax:86-25-52113793
 
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