아크릴산 4-하이드록시부틸

4-Hydroxybutyl acrylate

HCID 75588CAS 2478-10-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=CC(=O)OCCCCO
InChIKey: NDWUBGAGUCISDV-UHFFFAOYSA-N
분자식: C7H12O3
평균 분자량: 144.17 g/mol
단동위원소 질량: 144.07864424

이름 및 식별자

우선 이름: 4-Hydroxybutyl acrylate
IUPAC: 4-hydroxybutyl prop-2-enoate
현지명: 아크릴산 4-하이드록시부틸
영어명: 4-Hydroxybutyl acrylate
분자식: C7H12O3
분자량: 144.17

이름 및 동의어

4-Hydroxybutyl acrylate2478-10-64-hydroxybutyl prop-2-enoate2-Propenoic acid, 4-hydroxybutyl esterDTXSID30446234O2A4HET1XVISCOAT 4HBADTXCID1024623RefChem:99294219-606-3Hydroxybutyl acrylateAcrylic Acid 4-Hydroxybutyl Ester

이름 더 보기

4-하이드록시부틸아크릴레이트4-하이드록시뷰틸아크릴산염4-히드록시부틸아크릴산염아크릴산4-하이드록시부틸4-하이드록시뷰틸아크릴레이트4-하이드록시뷰틸아크릴산염(4-HYDROXYBUTYLACRYLATE)4-하이드록시뷰틸 아크릴레이트1,4-뷰테인다이올 모노아크릴레이트1,4-뷰테인다이올 아크릴레이트2-프로펜산, 4-하이드록시뷰틸 에스터4-하이드록시뷰틸 2-프로페노에이트뷰테인-1,4-다이올, 모노아크릴레이트뷰테인다이올 모노아크릴레이트테트라메틸렌 글라이콜 모노아크릴레이트프로프-2-에노에이트, 4-하이드록시뷰틸4-HydroxybutyL4-Hydroxybutyl2-propenoate0/6/781,4-Butanediol 1-acrylate1,4-ButanediolmonoacrylateAcrylic acid 4-hydroxybutyl4HBA4-Hydroxybutyl acrylate4-Hydroxybutyl acrylate ,98%

51309-28-51,4-Butanediol monoacrylateMFCD00010261BUTANEDIOL MONOACRYLATE4-hydroxybutylacrylate1,4-butanediol acrylate29086-87-14-Hydroxybutyl Acrylate (stabilized with MEHQ)

데이터베이스 식별자

CAS: 2478-10-6、51309-28-5
PubChem CID: 75588
DTXSID: DTXSID3044623
ChEMBL: CHEMBL3189040
UNII: 4O2A4HET1X
EC Number: 219-606-3、257-130-8
Nikkaji: J25.101A

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 10
형식 전하: 0
복잡도: 109

물리화학적 성질

녹는점: -112 °C · -112°C
끓는 점: 95 °C/0.1 · 95 °C/0.1 mmHg (lit.)
밀도: 1.041 g/mL · 1.041 g/mL at 25 °C (lit.)
증기압: 0.5 Pa · 0.5Pa at 20℃
굴절률: 20 · n20/D 1.452(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
산도 계수 (pKa): 14.99 · 14.99±0.10(Predicted)
색상: 무색 내지 거의 무색
수용성: 녹는
BRN: 1756545 · 1756545
InChI: 1S/C7H12O3/c1-2-7(9)10-6-4-3-5-8/h2,8H,1,3-6H2
InChIKey: NDWUBGAGUCISDV-UHFFFAOYSA-N
SMILES: OCCCCOC(=O)C=C
LogP: 0.77 at · 0.77 at 25℃
NIST: 4 · 4-Hydroxybutyl acrylate(2478-10-6)
EPA: 4 · 4-Hydroxybutyl acrylate (2478-10-6)

화학적 성질

clear liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.6% (9 of 350) of reports.

Danger

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 350 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 2-Propenoic acid, 4-hydroxybutyl ester

Status: Active Update: 28-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5357

2-Propenoic acid, 4-hydroxybutyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (95.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 2922
HS 번호: 29161290
risk_code: 20/21/22-36/37/38-51/53
hazard_code: Xn,N,Xi
safety_code: 26-37/39-38-61-36/37/39-29
포장분류: II
위험 등급: 8
기존화학 물질: KE-29568
F 고인화성물질: 10
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing Information2-Propenoic acid, 4-hydroxybutyl ester: ACTIVE

응용 분야 · 2건

용도Hydroxybutyl acrylate was one of the monomers utilized in the preparation of poly(2-hydroxy-3-phenoxypropylacrylate, 4-hydroxybutyl acrylate, dibutyl maleate) membranes.

일반 설명4-Hydroxybutyl acrylate (HBA) can be synthesized by the esterification of acrylic acid with 1, 4 butanediol over a catalyst such as Amberlyst 15. 4-Hydroxybutyl acrylate (HBA) exhibits properties such as luster, chemical and scratch resistance. HBA monomers may be used as one of the constituents for the fabrication of a membrane system for controlled release of transdermal drug delivery system.