2,2,4,4-테트라메틸사이클로부탄-1,3-디올, 이성질체 혼합
2,2,4,4-Tetramethylcyclobutane-1,3-diol
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기본 정보
- CAS
2694-23-7- 표준 SMILES
CC1(C)C(O)C(C)(C)C1O- InChIKey
FQXGHZNSUOHCLO-UHFFFAOYSA-N- 분자식
- C8H16O2
- 평균 분자량
- 144.21 g/mol
- 단동위원소 질량
- 144.11502975
이름 및 식별자
- 우선 이름
- 2,2,4,4-Tetramethylcyclobutane-1,3-diol
- IUPAC
- 2,2,4,4-tetramethylcyclobutane-1,3-diol
- 현지명
- 2,2,4,4-테트라메틸사이클로부탄-1,3-디올, 이성질체 혼합
- 영어명
- 2,2,4,4-Tetramethyl-1,3-cyclobutanediol
- 분자식
- C8H16O2
- 분자량
- 144.21
이름 및 동의어
2,2,4,4-Tetramethyl-1,3-cyclobutanediol3010-96-62,2,4,4-tetramethylcyclobutane-1,3-diol1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-Tetramethyl-1,3-cyclobutanediolDTXSID9044908EINECS 221-140-0NSC 46473UNII-9T56625HW3AI3-26279DTXCID7024908FQXGHZNSUOHCLO-UHFFFAOYSA-
이름 더 보기
2,2,4,4-테트라메틸사이클로부탄-1,3-디올,이성질체혼합2,2,4,4-테트라메틸-1,3-사이클로부탄디올CBDOTMCDC8H16O2TIMTEC-BB SBB008546Tetramethylcyclobutanediol1,1,3,3-Tetramethylcyclobutanediol
EC 221-140-0NSC-464739T56625HW32,2,4,4-Tetramethyl-1,3-cyclobutanediol,c&tRefChem:80863221-140-0812-914-4FQXGHZNSUOHCLO-UHFFFAOYSA-N
데이터베이스 식별자
- CAS
2694-23-7、3010-96-6、3039-96-1- PubChem CID
- 76382
- DTXSID
DTXSID9044908- ChEMBL
CHEMBL3186932- UNII
- V3G697089H、V7WK40I307
- EC Number
- 221-140-0、812-914-4
- Nikkaji
- J1.038.568G、J205.311J、J610.608K
물성
구조 계산 물성보충 중
- XLogP
- 1.1
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 115
실험 및 물리화학적 성질
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical DescriptionOther Solid
물리화학적 성질
- 녹는점
- 126 · 126-129 °C(lit.)
- 끓는 점
- 210 · 210-215 °C(lit.)
- 밀도
- 1.017 · 1.017
- 증기압
- 0.062 Pa · 0.062Pa at 20℃
- 굴절률
- 1.51 · 1.5100 (estimate)
- 인화점
- 125 °F · 125 °F
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 14.67 · 14.67±0.70(Predicted)
- 색상
- 흰색에서 거의 흰색
- 수용성
- 61 g/L · 61g/L at 20℃
- InChI
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H228 (25.9%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 158 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H228 (100%): Flammable solid [Danger Flammable solids]
유해성 정보
Regulatory Information
Regulation (EC) No 1935/2004 (amended)
1,3-Cyclobutanediol, 2,2,4,4-tetramethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl- 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: 08-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/11147
Hazard Classes and Categories
Flam. Sol. 1 (25.9%)
Flam. Sol. 1 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1325 4.1/PG 2
- HS 번호
- 29061990
- risk_code
- 11-36/37/38
- hazard_code
- F,Xi
- safety_code
- 16-26-36-7/9
- 위험 등급
- 4.1
- Hazard Classifications
화학 및 산업
용도 및 제조
U.S. Production2023: 75,000,000 - <150,000,000 lb
Industry UsesMonomers
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-: ACTIVE
응용 분야
개요2,2,4,4-tetramethyl-1,3-cyclobutanediol (CBDO) is a cyclic aliphatic diol monomer which is used to synthesize high-performance functionalized polyester materials as the alternative to traditional polycarbonate (PC) containing the poisonous bisphenol A. Additionally, incorporating CBDO compounds into the polyesters significantly improves the glass transition temperature of the materials and enhances their shock resistance. It also endows the polyesters with improved transparency, higher impact strength, higher melt viscosity and better toughness. To date, the major synthesis route to prepare CBDO is hydrogenation of 2,2,4,4-tetramethyl-1,3-cyclobutanedione (CBDK) in a dihydrogen atmosphere[1].
용도2,2,4,4-Tetramethyl-1,3-cyclobutanediol was used in the preparation of Eastman Tritan copolyester.
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하류 제품
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