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

HCID 91516CAS 2216-94-6

기본 정보

표준 SMILES
CCOC(=O)C#Cc1ccccc1
InChIKey
ACJOYTKWHPEIHW-UHFFFAOYSA-N
분자식
C11H10O2
평균 분자량
174.2 g/mol
단동위원소 질량
174.06807956

개요

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

이름 및 식별자

우선 이름
2-Propynoic acid, 3-phenyl-, ethyl ester
IUPAC
ethyl 3-phenylprop-2-ynoate
영어명
ETHYL PHENYLPROPIOLATE
분자식
C11H10O2
분자량
174.2

이름 및 동의어

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
이름 더 보기
phenylpropynoic acid ethyl esterTIMTEC-BB SBB008827RARECHEM AL BI 0668ethylphenylpropynoateethyl3-phenylpropynoate
ETHYL 3-PHENYLPROPARGYLATERefChem:596796DTXCID6036627Ethyl 3-phenylprop-2-ynoateEthyl 3-phenylpropynoateEthyl phenylpropriolatePhenylpropiolic Acid Ethyl EsterMFCD00009185

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
2.7
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
13

실험 및 물리화학적 성질

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)

물리화학적 성질

녹는점
149 · 149-150 °C
끓는 점
260 · 260-270 °C(lit.)
밀도
1.055 g/mL · 1.055 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.552(lit.)
인화점
110 °C · >110°C
저장 조건
2 · 2-8°C

화학적 성질

clear yellowish liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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 · 1건

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%)

안전 및 보호

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

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 · 1건

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) · 1건

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)

안전 데이터

wgk
3
rtecs
UE0110000
HS 번호
29163990
risk_code
36/38
safety_code
24/25
스토리지 클래스
10 - Combustible liquids

화학 및 산업

응용 분야

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

일반 설명Clear pale yellow liquid.

공급사50 곳

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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