기본 정보
- 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
이름 더 보기
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
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
- C(C1CCC(O)CC1)(C1CCC(O)CC1)(C)C
- LogP
- 2.5 at · 2.5 at 25℃
- EPA
- 4 · Cyclohexanol, 4,4'-(1-methylethylidene)bis- (80-04-6)
안전 및 규제
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];H412 (63.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
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.;Reported as not meeting GHS hazard criteria per 13 of 185 reports by companies.;There are 5 notifications provided by 172 of 185 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
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)
Status: Active Update: 21-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11451
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.
규제 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)
Status: Active Update: 21-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11451
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.
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
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
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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