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
이름 더 보기
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
- 형식 전하
- 0
- 복잡도
- 225
실험 및 물리화학적 성질
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
- 물리적 상태
- 액체
- Specific Gravity
- 1.055 · 1.055
- 색상
- 맑은 노란색
- 수용성
- 물에 불용성.
- BRN
- 639637 · 639637
- InChI
- 1S/C11H10O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2H2,1H3
- InChIKey
- ACJOYTKWHPEIHW-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C#Cc1ccccc1
- EPA
- Ethyl phenylpropiolate (2216-94-6)
화학적 성질
clear yellowish liquid
안전 및 규제
GHS 분류
GHS Classification
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
Reactivity Profile
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.
안전 및 보호
First Aid
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
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)
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.
상·하류 제품 정보
하류 제품
공급사50 곳
관련 반응
연결된 노트
불러오는 중…