기본 정보
- 표준 SMILES
CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O- InChIKey
MDWVSAYEQPLWMX-UHFFFAOYSA-N- 분자식
- C29H44O2
- 평균 분자량
- 424.7 g/mol
- 단동위원소 질량
- 424.33413064
이름 및 식별자
- 우선 이름
- 4,4'-Methylenebis(2,6-di-tert-butylphenol)
- IUPAC
- 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenol
- 현지명
- 4,4′-메틸렌비스(2,6-디-3차-부틸페놀)
- 영어명
- 4,4'-Methylenebis(2,6-di-tert-butylphenol)
- 분자식
- C29H44O2
- 분자량
- 424.66
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
118-82-1- PubChem CID
- 8372
- DTXSID
DTXSID7022411- ChEMBL
CHEMBL1795577- ChEBI
CHEBI:34369- UNII
- 37N5K66648
- EC Number
- 204-279-1
- Nikkaji
- J39.600A
물성
구조 계산 물성
- XLogP
- 9.8
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 480
실험 및 물리화학적 성질
Physical Description
Dry Powder
White or yellow powder; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 155 · 155-159 °C(lit.)
- 끓는 점
- 289 °C40 · 289 °C40 mm Hg(lit.)
- 밀도
- 0.99 g/cm3 · 0.99 g/cm3 (20℃)
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.4875 · 1.4875 (estimate)
- 인화점
- 289 °C/40mm · 289°C/40mm
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 0.0001 g/l · <0.0001g/l
- 산도 계수 (pKa)
- 12.03 · 12.03±0.40(Predicted)
- 물리적 상태
- 고체
- 색상
- 하얀색
- 수용성
- 31.9 ng/L · 31.9ng/L at 20℃
- BRN
- 1916919 · 1916919
- 안정성
- 1 · 솔루션이 불안정합니다.현장에서 준비하여 영업일 기준 1일 이내에 사용해야 합니다.
- InChI
- 1S/C29H44O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h14-17,30-31H,13H2,1-12H3
- InChIKey
- MDWVSAYEQPLWMX-UHFFFAOYSA-N
- SMILES
- CC(C)(C)c1cc(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C
- LogP
- 8.9 at · 8.9 at 25℃
- NIST
- 4 · Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-(118-82-1)
- EPA
- 4 · Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)- (118-82-1)
화학적 성질
light yellow crystalline
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 65.9% (571 of 866) of all reports.
H413 (18.2%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 866 reports by companies from 9 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 571 of 866 reports by companies.;There are 8 notifications provided by 295 of 866 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: Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-
Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)- 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: 19-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13429
Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A skin and eye irritant in rabbits; No mortality or gross lesions observed in oral lethal-dose study of rats at 5,000 mg/kg; Another lethal-dose study of rats produced increasing severity of hepatic degeneration in animals that died (doses of 4,700-36,000 mg/kg); No mortality or symptoms of systemic toxicity observed in dermal lethal-dose study of rats at doses up to 36,000 mg/kg; [IUCLID] Causes ulceration or bleeding from the large intestine and fibrous hepatitis (cirrhosis, post necrotic scarring) in 2-year constant feeding studies of dogs; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See 2,2'-Methylenebis(6-t-butyl-4-ethylphenol).
독성 정보
규제 정보
Regulatory Information
Chemical: Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-
Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)- 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: 19-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13429
Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- SL9650000
- 독성
- LD50 oral in rat: > 24gm/kg
- HS 번호
- 29072990
- risk_code
- 36/37/38-38-37-36
- hazard_code
- Xi
- safety_code
- 26-36
- 기존화학 물질
- KE-23813
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Use Classification
Plastics -> Antioxidants
Plastics -> Polymer Type -> N.a.
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing
Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-: ACTIVE
응용 분야
용도Antioxidant.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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연결된 노트
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