CAS 115-80-0 Ethyl orthopropionate (HCID 66995)

이름 및 식별자

우선 이름: Ethyl orthopropionate
IUPAC: 1,1,1-triethoxypropane
현지명: 오소 프로피온산 에틸
영어명: Triethyl orthopropionate
분자식: C9H20O3
분자량: 176.25

이름 및 동의어

Triethyl orthopropionate1,1,1-Triethoxypropane115-80-0Propane, 1,1,1-triethoxy-Ethyl orthopropionateOrthopropionic acid, triethyl esterTriethyl o-propionateOrthopropionic acid ethyl ester9UVM48BAS9TRIETHYL ORTHOPROPANOATENSC 5604NSC-5604

이름 더 보기

오소프로피온산에틸트라이에틸 오쏘프로피온에이트TEOPorthopropionateEthyl orthopropinateTriethyl orthopropioTRIETHYL-O-PROPIONATE1,1,1-triethoxy-propanTriethyl orthopropioteTriethylorthopropionat

EINECS 204-108-0AI3-23844DTXSID2059431Triethyl opropionateRefChem:596353Propane, 1,1,1triethoxyDTXCID3033357Orthopropionic acid, triethyl ester (8CI)

데이터베이스 식별자

CAS: 115-80-0
PubChem CID: 66995
DTXSID: DTXSID2059431
UNII: 9UVM48BAS9
EC Number: 204-108-0
Nikkaji: J97.286J

물성

구조 계산 물성

XLogP: 2
극성 표면적: 27.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 7
무거운 원자 수: 12
형식 전하: 0
복잡도: 86.9

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Ethers, Other

SpringerMaterials PropertiesOptical coefficient

Physical DescriptionDark yellow liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 284 °C · 284 °C
끓는 점: 155 · 155-160 °C (lit.)
밀도: 0.876 g/mL · 0.876 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.402(lit.)
인화점: 140 °F · 140 °F
저장 조건: 30 °C · Store below +30°C.
용해도: soluble in Chloroform, Ethyl Acetate
물리적 상태: 액체
Specific Gravity: 0.888 · 0.888 (20/4℃)
색상: 무색의
수용성: 물에서 천천히 가수분해됩니다. 알코올, 클로로포름, 에틸 아세테이트 및 에테르에 용해됩니다.
BRN: 906798 · 906798
안정성: 수분에 민감한
InChI: 1S/C9H20O3/c1-5-9(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3
InChIKey: FGWYWKIOMUZSQF-UHFFFAOYSA-N
SMILES: CCOC(CC)(OCC)OCC
NIST: 1 · Propane, 1,1,1-triethoxy-(115-80-0)
EPA: 1 · Propane, 1,1,1-triethoxy- (115-80-0)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (98.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 77 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Propane, 1,1,1-triethoxy-

Status: Active Update: 03-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/18783

Triethyl orthopropionate: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (98.7%)

안전 데이터

wgk: 1
tsca: TSCA listed
ridadr: UN 3272 3/PG 3
HS 번호: 29159080
risk_code: 22-36/38-36/37/38
hazard_code: Xn,Xi
safety_code: 26-37/39-36
포장분류: III
위험 등급: 3
기존화학 물질: KE-34228
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPropane, 1,1,1-triethoxy-: ACTIVE

응용 분야 · 1건

용도Used as intermediates in pharmaceutical chemical and organic synthesize. It can react with N-benzoyl-glycine in the presence of 4-(dimethylamino)pyridine and acetic anhydride to produce 4-(1-ethoxy-propylidene)-2-phenyl-4H-oxazol-5-one. It is also applied as a starting material in the synthesis of Triethyl orthoacrylate. Triethyl orthopropionate is also commonly used in Claisen rearrangement reactions that yield γ,δ-unsaturated esters.

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하류 제품

공급사100 곳

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