Ethyl 2-(diethoxyphosphoryl)butanoate (HCID 229053)

이름 및 식별자

우선 이름: Ethyl 2-(diethoxyphosphoryl)butanoate
IUPAC: ethyl 2-diethoxyphosphorylbutanoate
영어명: TRIETHYL 2-PHOSPHONOBUTYRATE
분자식: C10H21O5P
분자량: 252.24

이름 및 동의어

17145-91-4Triethyl 2-phosphonobutyrateEthyl 2-(diethoxyphosphoryl)butanoateethyl 2-diethoxyphosphorylbutanoateMFCD00041347Ethyl 2-(diethylphosphono)butyrateTriethyl 2-phosphonobutanoateethyl 2-diethylphosphonobutanoate.alpha.-(Diethylphosphono)butanoic acid, ethyl esterdiethyl 1-ethoxycarbonylpropylphosphonatea-Diethylphosphonobutanoic acid ethyl esterCS-0148079

이름 더 보기

NSC 22423TRIETHYL-2-PHOSPHONOBUTANOATETriethyl 2-phosphonobutyrate,98%Triethyl alpha-phosphonobutyrateTriethyl 2-phosphonobutyrate 98%Triethyle2-phosphonobutyrate, 98%

triethyButanoic acid, 2-(diethoxyphosphinyl)-, ethyl esterButyric acid, 2-phosphono-, triethyl esterButyric acid, triethyl estertriethyl 2-phosphonobu-tyrateTriethyl-2-phosphono butyrateSCHEMBL1052265GYUCVQSNZFRDRL-UHFFFAOYSA-

데이터베이스 식별자

CAS: 17145-91-4
PubChem CID: 229053
EC Number: 627-866-8
Nikkaji: J103.544D

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 61.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 9
무거운 원자 수: 16
형식 전하: 0
복잡도: 244

물리화학적 성질

끓는 점: 152 · 152-154 °C14 mm Hg(lit.)
밀도: 1.064 g/mL · 1.064 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.432(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.064 · 1.064
색상: 무색의
수용성: 물과 섞이거나 혼합하기 어렵지 않습니다.
BRN: 1789280 · 1789280
InChI: InChI=1S/C10H21O5P/c1-5-9(10(11)13-6-2)16(12,14-7-3)15-8-4/h9H,5-8H2,1-4H3
InChIKey: GYUCVQSNZFRDRL-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(P(OCC)(OCC)=O)CC

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (91.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (91.1%)

안전 데이터

wgk: 3
HS 번호: 29310099
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도Reactant used for preparation of furospinosulin-1 and analogs as hypoxia-selective antitumor agents, Aminoquinolines as beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors and potential anti-Alzheimers drugs, phenylpropanoic acid peroxisome proliferator-activated receptor (PPAR) α-selective agonists as nonalcoholic steatohepatitis (NASH)-preventive agents, PPAR agonists with phenethylphenylphthalimide skeleton derived from thalidomide-related LXR antagonists, notch-sparing γ-secretase inhibitors derived from PPAR agonist library and plakotenin via Diels-Alder reaction, as a potential anticancer agent, naturally found in Okinawan sponge of the genus Plakortis.