기본 정보
- 표준 SMILES
CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1- InChIKey
BVUXDWXKPROUDO-UHFFFAOYSA-N- 분자식
- C16H26O
- 평균 분자량
- 234.38 g/mol
- 단동위원소 질량
- 234.19836545
이름 및 식별자
- 우선 이름
- 2,6-Di-tert-butyl-4-ethylphenol
- IUPAC
- 2,6-ditert-butyl-4-ethylphenol
- 현지명
- 2,6-디-t-부틸-4-에틸페놀
- 영어명
- 2,6-Ditert-butyl-4-ethylphenol
- 분자식
- C16H26O
- 분자량
- 234.38
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
4130-42-1- PubChem CID
- 20087
- DTXSID
DTXSID0029262- ChEMBL
CHEMBL225620- ChEBI
CHEBI:177477- UNII
- SV7OZ6J97M
- EC Number
- 223-945-2
- Nikkaji
- J104.299H
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 219
실험 및 물리화학적 성질
Physical Description
Dry Powder
Solid
물리화학적 성질
- 녹는점
- 44 °C · >44°C
- 끓는 점
- 272 °C · 272°C
- 밀도
- 0.926 · 0.9260 (estimate)
- 굴절률
- 1.5041 · 1.5041 (estimate)
- 인화점
- 105 °C · 105°C
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 12.83 · 12.83±0.40(Predicted)
- 색상
- 흰색에서 밝은 노란색
- BRN
- 1875693 · 1875693
- LogP
- 5.678 · 5.678 (est)
- NIST
- 2 · 2,6-Ditert-butyl-4-ethylphenol(4130-42-1)
- EPA
- 2 · 2,6-Di-tert-butyl-4-ethylphenol (4130-42-1)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 5.6% (1 of 18) of reports.
Warning
H315 (61.1%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (61.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (55.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (33.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (33.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard];H411 (27.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 18 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 18 reports by companies.;There are 7 notifications provided by 17 of 18 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, 2,6-bis(1,1-dimethylethyl)-4-ethyl-
Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2,6-bis(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)
Phenol, 2,6-bis(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.
Hazard Classes and Categories
Skin Irrit. 2 (61.1%);Eye Irrit. 2 (61.1%);STOT SE 3 (55.6%);Aquatic Acute 1 (33.3%);Aquatic Chronic 1 (33.3%);Aquatic Chronic 2 (27.8%)
Hazardous to the aquatic environment (Acute) - Category 1;Hazardous to the aquatic environment (Long-term) - Category 1
독성 정보
규제 정보
Regulatory Information
Chemical: Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-
Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2,6-bis(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)
Phenol, 2,6-bis(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.
안전 데이터
- tsca
- TSCA listed
- ridadr
- 3077
- HS 번호
- 2907.19.2000
- risk_code
- 36/37/38
- safety_code
- 26-36
- 포장분류
- III
- 위험 등급
- 9
- 기존화학 물질
- KE-03064
화학 및 산업
약리 정보
용도 및 제조
General Manufacturing Information
Miscellaneous Manufacturing
Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-: ACTIVE
응용 분야
용도2,6-Di-tert-butyl-4-ethylphenol is used as a catalyst for the synthesis of aromatic carboxamides.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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