기본 정보
- 표준 SMILES
CCc1cc(Cc2cc(CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1- InChIKey
GPNYZBKIGXGYNU-UHFFFAOYSA-N- 분자식
- C25H36O2
- 평균 분자량
- 368.6 g/mol
- 단동위원소 질량
- 368.27153039
이름 및 식별자
- 우선 이름
- 2,2'-Methylenebis(4-ethyl-6-tert-butylphenol)
- IUPAC
- 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol
- 현지명
- 2,2'-메틸렌비스(6-T-뷰틸-4-에틸페놀)
- 영어명
- 2,2′-Methylenebis(6-tert-butyl-4-ethylphenol)
- 분자식
- C25H36O2
- 분자량
- 368.55
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
88-24-4- PubChem CID
- 6928
- DTXSID
DTXSID7038864- ChEMBL
CHEMBL3182523- UNII
- RZW97F6CTS
- EC Number
- 201-814-0
- Nikkaji
- J34.563F
물성
구조 계산 물성
- XLogP
- 8.1
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 416
실험 및 물리화학적 성질
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Dry Powder
Pale cream to white free flowing powder with a phenolic odor; [MSDSonline]
물리화학적 성질
- 녹는점
- 119 · 119-122 °C(lit.)
- 끓는 점
- 458.86 °C · 458.86°C (rough estimate)
- 밀도
- 1.01 · 1.010
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.4894 · 1.4894 (estimate)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 11.37 · 11.37±0.48(Predicted)
- 색상
- 흰색에서 황백색까지
- InChI
- InChI=1S/C25H36O2/c1-9-16-11-18(22(26)20(13-16)24(3,4)5)15-19-12-17(10-2)14-21(23(19)27)25(6,7)8/h11-14,26-27H,9-10,15H2,1-8H3
- InChIKey
- GPNYZBKIGXGYNU-UHFFFAOYSA-N
- SMILES
- C(C1=CC(CC)=CC(C(C)(C)C)=C1O)C1=CC(CC)=CC(C(C)(C)C)=C1O
- LogP
- 8.95 at · 8.95 at 20℃
- EPA
- 2 · 2,2'-Methylenebis[6-(tert-butyl)-4-ethylphenol] (88-24-4)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 48.7% (57 of 117) of reports.
Warning
H315 (35.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 117 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: Phenol, 2,2â²-methylenebis[6-(1,1-dimethylethyl)-4-ethyl-
Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl- 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: 27-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20809
Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl-: 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.
독성 정보
Non-Human Toxicity Excerpts
HEPATIC LIPIDS WERE STUDIED IN SPRAGUE-DAWLEY MALE RATS GIVEN, 2,2'- METHYLENEBIS(4-ETHYL-6-TERT-BUTYLPHENOL), AT LEVEL OF 1.135 MMOL% FOR 1 WK. IT INDUCED FATTY LIVER & INCR TRIGLYCERIDE, DIGLYCERIDE & CHOLESTERYL-ESTER CONCN. ALSO PRODUCED CHANGE IN LIVER LIPIDS.
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- SL9800000
- 독성
- LD50 oral in rat: > 10gm/kg
- HS 번호
- 29072990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 기존화학 물질
- KE-23814
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
- 유해 물질 데이터
- 88-24-4(Hazardous Substances Data)
화학 및 산업
용도 및 제조
Uses
Used as an antioxidant; [HSDB]
ANTIOXIDANT
General Manufacturing Information
Adhesive Manufacturing
Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl-: ACTIVE
DURING BLOOD ANAL OF DELTA1-TETRAHYDROCANNABINOL, AN ANTIOXIDANT CONTAMINANT 2, 2'-METHYLENEBIS[6-(1,1-DIMETHYLETHYL)-4-ETHYLPHENOL-] WAS ISOLATED FROM CERTAIN STOPPERS FOLLOWING C5H12 EXTRACTION.
응용 분야
용도Antioxidant
상·하류 제품 정보
상류 원료
공급사50 곳
관련 반응
연결된 노트
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