2-페닐-아크릴산메틸에스테르

Methyl atropate

HCID 193334CAS 1865-29-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=C(C(=O)OC)c1ccccc1
InChIKey: GQTXKEVAUZYHGE-UHFFFAOYSA-N
분자식: C10H10O2
평균 분자량: 162.18 g/mol
단동위원소 질량: 162.06807956

개요

Methyl atropate has been reported in Annona muricata with data available.

이름 및 식별자

우선 이름: Methyl atropate
IUPAC: methyl 2-phenylprop-2-enoate
현지명: 2-페닐-아크릴산메틸에스테르
영어명: 2-Phenyl-acrylic acid methyl ester
분자식: C10H10O2
분자량: 162.19

이름 및 동의어

1865-29-8Methyl atropateBenzeneacetic acid, alpha-methylene-, methyl esterDTXSID90171910RefChem:817629DTXCID4094401Methyl 2-phenylacrylatemethyl 2-phenylprop-2-enoate2-PHENYL-ACRYLIC ACID METHYL ESTERMFCD09032492Methyl atropate #Methyl2-phenylacrylate

이름 더 보기

2-페닐-아크릴산메틸에스테르2-phenylpropyleneacidmethyl esterBenzenesulfonylchloride,8-(phenylmethoxy)-Benzeneacetic acid, α-methylene-, methyl esterMethyl 2-phenylacrylate,95% (stabilized with TBC)

methyl 2-phenyl-acrylateatropic acid, methyl estermethyl2-phenylprop-2-enoateSCHEMBL829508Methyl 2-phenyl-prop-2-enoate2-Phenylacrylic acid methyl ester2-phenyl acrylic acid methyl esterBAA86529

데이터베이스 식별자

CAS: 1865-29-8
PubChem CID: 193334
DTXSID: DTXSID90171910
EC Number: 866-246-3
Nikkaji: J486.869B

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 178

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

끓는 점: 95 · 95-98 °C(Press: 6 Torr)
밀도: 1.044 · 1.044±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
InChI: InChI=1S/C10H10O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InChIKey: GQTXKEVAUZYHGE-UHFFFAOYSA-N
SMILES: C(=C)(C1C=CC=CC=1)C(OC)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.