Ethyl-3-phenylprop-2-inoat

2-Propynoic acid, 3-phenyl-, ethyl ester

HCID 91516CAS 2216-94-6

Grundinformationen

Standard-SMILES
CCOC(=O)C#Cc1ccccc1
InChIKey
ACJOYTKWHPEIHW-UHFFFAOYSA-N
Summenformel
C11H10O2
Durchschnittliche Molmasse
174,2 g/mol
Monoisotopische Masse
174,06807956

Überblick

Ethyl phenylpropiolate is a clear pale yellow liquid. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
2-Propynoic acid, 3-phenyl-, ethyl ester
IUPAC
ethyl 3-phenylprop-2-ynoate
Lokaler Name
Ethyl-3-phenylprop-2-inoat
Englischer Name
ETHYL PHENYLPROPIOLATE
Summenformel
C11H10O2
Molmasse
174.2

Namen und Synonyme

Ethyl phenylpropiolate2216-94-6Ethyl 3-phenylpropiolateEthylphenylpropiolateEthyl phenylacetylenecarboxylate2-Propynoic acid, 3-phenyl-, ethyl esterEthyl 3-phenyl-2-propynoateEthyl phenylpropynoatePropiolic acid, phenyl-, ethyl esterPhenylacetylene monocarboxylic acid ethyl ester09CYB3Z9MRDTXSID9074858
Weitere Namen anzeigen
phenylpropynoic acid ethyl esterTIMTEC-BB SBB008827RARECHEM AL BI 0668ethylphenylpropynoateethyl3-phenylpropynoate
ETHYL 3-PHENYLPROPARGYLATERefChem:596796DTXCID6036627Ethyl 3-phenylprop-2-ynoateEthyl 3-phenylpropynoateEthyl phenylpropriolatePhenylpropiolic Acid Ethyl EsterMFCD00009185

Datenbank-Bezeichner

CAS
2216-94-6
PubChem CID
91516
DTXSID
DTXSID9074858
ChEMBL
CHEMBL1992423
UNII
09CYB3Z9MR
EC Number
218-703-8
Nikkaji
J1.803A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,7
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
13

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesDensity
Density1.055 at 77 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 75 °F (NTP, 1992)
Flash Point235 °F (NTP, 1992)
Boiling Point500 to 518 °F at 760 mmHg (decomposes) (NTP, 1992)
Physical DescriptionEthyl phenylpropiolate is a clear pale yellow liquid. (NTP, 1992)

Physikochemische Eigenschaften

Schmelzpunkt
149 · 149-150 °C
Siedepunkt
260 · 260-270 °C(lit.)
Dichte
1.055 g/mL · 1.055 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.552(lit.)
Flammpunkt
110 °C · >110°C
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information2-Propynoic acid, 3-phenyl-, ethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Fire HazardsThis compound is combustible. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile · 1 Eintrag

Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheit und Schutzausrüstung

Fire FightingFires involving this compound can be controlled with dry chemical, carbon dioxide or Halon extinguishers. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Sicherheitsdaten

wgk
3
hs_code
29163990
RTECS-Nr.
UE0110000
risk_code
36/38
safety_code
24/25
Speicherklasse
10 - Combustible liquids

Chemie und Industrie

Anwendungen

VerwendenEthyl phenylpropiolate, is an important organic intermediate. It is also used as an intermediate in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

Anbieter50 Anbieter

上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

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