수소화비스페놀A
Hydrogenated bisphenol a
기본 정보
- CAS
13804-54-1- 표준 SMILES
CC(C)(C1CCC(O)CC1)C1CCC(O)CC1- InChIKey
CDBAMNGURPMUTG-UHFFFAOYSA-N- 분자식
- C15H28O2
- 평균 분자량
- 240.38 g/mol
- 단동위원소 질량
- 240.20893013
이름 및 식별자
- 우선 이름
- Hydrogenated bisphenol a
- IUPAC
- 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol
- 현지명
- 수소화비스페놀A
- 영어명
- Hydrogenated bisphenol A （HBPA）
- 분자식
- C15H28O2
- 분자량
- 240.38
이름 및 동의어
4,4'-Isopropylidenedicyclohexanol2,2-Bis(4-hydroxycyclohexyl)propaneDodecahydrobisphenol APerhydrobisphenolCyclohexanol, 4,4'-(1-methylethylidene)bis-dicyclohexanolpropane1,1'-Isopropylidenebis(4-cyclohexanol)4,4'-Propane-2,2-diyldicyclohexanolCyclohexanol, 4,4'-isopropylidenedi-DTXSID0044993NSC-8990NXZ4H12R1Z
이름 더 보기
2,2`-비스(4-하이드록시시클로헥실)프로판4,4'-(1-메틸에틸리덴)바이사이클로헥산올수소화비스페놀AHYDROGENATED BISPHENOL A4,4'-(Propane-2,2-diyl)dicyclohexanolH-BPAMaruzen H-BPAPERHYDROBISPHENOL AHydrogenated Biphenol ABISPHENOL A HYDROGENATED4'-IsopropylidenedicyclohexanolHYDROGENATED BISPHENOL A (HBPA)
NSC 8990EINECS 201-244-2AI3-25180DTXCID8024993EC 201-244-2RefChem:789126Cyclohexanol, 4,4'-isopropylidenedi-(8CI)80-04-6
데이터베이스 식별자
- CAS
13804-54-1、13804-57-4、13804-58-5、80-04-6- PubChem CID
- 94932
- DTXSID
DTXSID0044993- ChEMBL
CHEMBL3185065- UNII
- NXZ4H12R1Z
- EC Number
- 201-244-2
- Nikkaji
- J192.573C
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 209
실험 및 물리화학적 성질
Physical DescriptionDry Powder
물리화학적 성질
- 녹는점
- 187 °C · 187 °C(Solv: benzene (71-43-2); ethanol (64-17-5))
- 끓는 점
- 230 · 230-234 °C14 mm Hg(lit.)
- 밀도
- 1.048 · 1.048±0.06 g/cm3(Predicted)
- 증기압
- 0.001 Pa · 0.001Pa at 25℃
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · Storage temp. 2-8°C
- 용해도
- Insoluble in water
- 물리적 상태
- powder to lump
- 산도 계수 (pKa)
- 15.01 · 15.01±0.40(Predicted)
- 색상
- 흰색에서 거의 흰색
- 수용성
- 192 mg/L · 192mg/L at 20℃
- Henry's Law Constant
- 9.7 · 9.7×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- InChI
- InChI=1S/C15H28O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-14,16-17H,3-10H2,1-2H3
- InChIKey
- CDBAMNGURPMUTG-UHFFFAOYSA-N
- SMILES
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 7% (13 of 185) of reports.
Warning
H319 (29.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 185 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Cyclohexanol, 4,4'-(1-methylethylidene)bis-
Cyclohexanol, 4,4'-(1-methylethylidene)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanol, 4,4'-(1-methylethylidene)bis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 4,4'-isopropylidenedicyclohexanol (EC: 201-244-2)
Cyclohexanol, 4,4'-(1-methylethylidene)bis-: 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 CategoriesEye Irrit. 2 (29.2%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 2906.19.5000
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
- 기존화학 물질
- KE-23967
- Hazard Classifications
- Eye Irrit. 2
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information
Plastics Material and Resin Manufacturing
Cyclohexanol, 4,4'-(1-methylethylidene)bis-: ACTIVE
응용 분야
개요2,2-Bis(4-hydroxycyclohexyl)propane, also known as 4,4'-Isopropylidenedicyclohexanol, is a crystalline, colorless, and odorless compound. The conformation of the cyclohexane rings gives rise to cis-cis, cis-trans and trans-trans isomers. The industrial product is a mixture of these stereoisomers. The physical properties depend on the relative amounts of the isomers present. The trans-trans compound has the lowest energy and is formed from the other isomers at higher temperature. It has the lowest solubility in solvents such as methanol, butanol, and acetone and has the highest melting point of these isomers.
용도4,4'-isopropylidenedicyclohexanol is unsaturated polyester resin, epoxy resin raw materials, especially as glass, steel, artificial marble bathtub, plating tank and other components, and has a water resistance, chemical resistance, thermal stability and light stability.
상·하류 제품 정보
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