기본 정보
- CAS
16969-10-1- 표준 SMILES
C=CC(=O)OCC(O)COc1ccccc1- InChIKey
HHQAGBQXOWLTLL-UHFFFAOYSA-N- 분자식
- C12H14O4
- 평균 분자량
- 222.24 g/mol
- 단동위원소 질량
- 222.08920892
이름 및 식별자
- 우선 이름
- 2-Hydroxy-3-phenoxypropyl prop-2-enoate
- IUPAC
- (2-hydroxy-3-phenoxypropyl) prop-2-enoate
- 현지명
- 2-하이드록시-3-페녹시프로필아크릴산
- 영어명
- 2-Hydroxy-3-phenoxypropyl acrylate
- 분자식
- C12H14O4
- 분자량
- 222.24
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
16969-10-1- PubChem CID
- 4443516
- DTXSID
DTXSID1044851- ChEMBL
CHEMBL3182684- EC Number
- 241-045-8
- Nikkaji
- J59.922K
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 221
물리화학적 성질
- 끓는 점
- 380.9 · 380.9±32.0 °C(Predicted)
- 밀도
- 1.16 g/mL · 1.16 g/mL at 25 °C (lit.)
- 증기압
- 0.004 Pa · 0.004Pa at 25℃
- 굴절률
- 20 · n20/D 1.528(lit.)
- 인화점
- 192 °F · 192 °F
- 산도 계수 (pKa)
- 13.04 · 13.04±0.20(Predicted)
- 물리적 상태
- 투명한 액체
- 색상
- Colorless to Light yellow to Light orange
- 수용성
- 5.3 g/L · 5.3g/L at 20℃
- InChI
- InChI=1S/C12H14O4/c1-2-12(14)16-9-10(13)8-15-11-6-4-3-5-7-11/h2-7,10,13H,1,8-9H2
- InChIKey
- HHQAGBQXOWLTLL-UHFFFAOYSA-N
- SMILES
- C(OCC(O)COC1=CC=CC=C1)(=O)C=C
- LogP
- 2.03 at · 2.03 at 25℃
- EPA
- 3 · 3-Phenoxy-2-hydroxypropyl acrylate (16969-10-1)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.5% (1 of 217) of reports.
Danger
H302 (49.8%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (43.8%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (71.4%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (54.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (43.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (26.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (55.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P272, P273, 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, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 217 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 217 reports by companies.;There are 11 notifications provided by 216 of 217 reports by companies with hazard statement code(s).;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
규제 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 2916.12.1000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- 기존화학 물질
- KE-20790
- Hazard Classifications
- Aquatic Chronic 2Eye Dam. 1Skin Sens. 1B
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도Polymeric membranes for controlled drug release systems may be prepared by the photosynthesis of 2-hydroxy-3-phenoxypropyl acrylate by UV radiation. Tthe product can be used as a curing agent during the fabrication of poly (phenylene ether)-based substrate materials.
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