기본 정보
- CAS
13836-48-1- 표준 SMILES
CC(C)(c1ccc(OCC(O)CCl)cc1)c1ccc(OCC2CO2)cc1- InChIKey
HLLOKZYCSSQYEB-UHFFFAOYSA-N- 분자식
- C21H25ClO4
- 평균 분자량
- 376.9 g/mol
- 단동위원소 질량
- 376.14413696
이름 및 식별자
- 우선 이름
- Bisphenol A (3-chloro-2-hydroxypropyl)glycidyl ether
- IUPAC
- 1-chloro-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
- 영어명
- Bisphenol a (3-chloro-2-hydroxypropyl) G
- 분자식
- C21H25ClO4
- 분자량
- 376.87
이름 및 동의어
13836-48-1Bisphenol A (3-chloro-2-hydroxypropyl)glycidyl etherBisphenol A (3-chloro-2-hydroxypropyl) glycidyl ether7W5KTO0C7SBisphenol A 3-chloro-2-hydroxypropyl glycidyl ether1-Chloro-3-(4-(1-methyl-1-(4-(2-oxiranylmethoxy)phenyl)ethyl)phenoxy)-2-propanol2-Propanol, 1-chloro-3-(4-(1-methyl-1-(4-(2-oxiranylmethoxy)phenyl)ethyl)phenoxy)-2-Propanol, 1-chloro-3-[4-[1-methyl-1-[4-(2-oxiranylmethoxy)phenyl]ethyl]phenoxy]-RefChem:569540635-062-3BADGE-HCl1-chloro-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
이름 더 보기
Bisphenol A (3-chloro-2-hydroxypropyl) glycidyl ether in acetonitrile2-[4-(3-chloro-2-hydroxypropyloxy)pheny]-2-[4-(glycidyloxy)phenyl]propane1-Chloro-3-[4-[1-methyl-1-[4-(2-oxiranylmethoxy)phenyl]ethyl]phenoxy]-2-propanolBADGE-HCl, 2-[4-(3-Chloro-2-hydroxypropyloxy)pheny]-2-[4-(glycidyloxy)phenyl]propaneBisphenol A (3-chloro-2-hydroxypropyl) glycidyl ether,2-[4-(3-Chloro-2-hydroxypropyloxy)pheny]-2-[4-(glycidyloxy)phenyl]propane, BADGE-HCl
BISPHENOL A (3-CHLORO-2-HYDROXYPROPYL) GUNII-7W5KTO0C7S1-chloro-3-(4-(2-(4-(oxiran-2-ylmethoxy)phenyl)propan-2-yl)phenoxy)propan-2-olBisphenola(3-chloro-2-hydroxypropyl)gC21H25ClO4orb3144873SCHEMBL12987750DTXSID30400216
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 51.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 414
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 끓는 점
- 537.3 · 537.3±50.0 °C(Predicted)
- 밀도
- 1.202 · 1.202±0.06 g/cm3(Predicted)
- 굴절률
- 20 · n20/D 1.573
- 저장 조건
- 20 °C · −20°C
- 용해도
- 클로로포름(약간 용해됨), DMSO(소량으로 용해), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 13.13 · 13.13±0.20(Predicted)
- 안정성
- 흡습성
- 주요 응용
- 청소용품화장품음식 및 음료개인 위생 관리
- InChI
- 1S/C21H25ClO4/c1-21(2,15-3-7-18(8-4-15)24-12-17(23)11-22)16-5-9-19(10-6-16)25-13-20-14-26-20/h3-10,17,20,23H,11-14H2,1-2H3
- InChIKey
- HLLOKZYCSSQYEB-UHFFFAOYSA-N
- SMILES
- CC(C)(c1ccc(OCC(O)CCl)cc1)c2ccc(OCC3CO3)cc2
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
2-Propanol, 1-chloro-3-[4-[1-methyl-1-[4-(2-oxiranylmethoxy)phenyl]ethyl]phenoxy]-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/38-43
- hazard_code
- Xi
- safety_code
- 26-28-37/39
- F 고인화성물질
- 10-23
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
상·하류 제품 정보
상류 원료
공급사18 곳
艾吉析科技（上海）有限公司17717235263 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海艾梯西生物科技有限公司18721763493
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
合肥孚亚生物技术有限公司18096409024 · [email protected]
上海孚一生物科技有限公司18096642264; 18096642264
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