기본 정보
- CAS
98-49-7- 표준 SMILES
CC(C)c1ccc(C(C)(C)OO)cc1- InChIKey
HWCBEGMIBCYKST-UHFFFAOYSA-N- 분자식
- C12H18O2
- 평균 분자량
- 194.27 g/mol
- 단동위원소 질량
- 194.13067981
이름 및 식별자
- 우선 이름
- 1-(4-Isopropylphenyl)-1-methylethyl hydroperoxide
- IUPAC
- 1-(2-hydroperoxypropan-2-yl)-4-propan-2-ylbenzene
- 현지명
- 1-(4-이소프로필페닐)-1-메틸에틸하이드로퍼옥사이드
- 영어명
- 1-(4-isopropylphenyl)-1-methylethyl hydroperoxide
- 분자식
- C12H18O2
- 분자량
- 194.27
이름 및 동의어
1-(4-Isopropylphenyl)-1-methylethyl hydroperoxideHydroperoxide, 1-methyl-1-[4-(1-methylethyl)phenyl]ethyl1-Methyl-1-[4-(1-methylethyl)phenyl]ethyl hydroperoxideHydroperoxide, 1-methyl-1-(4-(1-methylethyl)phenyl)ethyl1-Methyl-1-(4-(1-methylethyl)phenyl)ethyl hydroperoxideRefChem:425699202-673-898-49-71-(2-hydroperoxypropan-2-yl)-4-propan-2-ylbenzenep-Diisorpopylbenzene hydroperoxideEINECS 202-673-8SCHEMBL374893
이름 더 보기
1-(4-이소프로필페닐)-1-메틸에틸하이드로퍼옥사이드Phenylhdrazine-P-sulfonic acidp-Dipropylbenzene hydroperoxidep-Diisopropylbenzene hydroperoxide1-(2-hydroperoxypropan-2-yl)-4-propan-2-yl-benzene1-(1-hydroperoxy-1-methyl-ethyl)-4-isopropyl-benzeneHydroperoxide,1-methyl-1-[4-(1-methylethyl)phenyl]ethylHydroperoxide, 1-methyl-1-[4-(1-methylethyl) phenyl]ethyl
2-[4-(PROPAN-2-YL)PHENYL]PROPANE-2-PEROXOLSCHEMBL10435261DTXSID30893285HWCBEGMIBCYKST-UHFFFAOYSA-NNS00004867
데이터베이스 식별자
- CAS
98-49-7- PubChem CID
- 60989
- DTXSID
DTXSID30893285- EC Number
- 202-673-8
- Nikkaji
- J4.953K
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 167
실험 및 물리화학적 성질
Physical DescriptionLiquid
물리화학적 성질
- 녹는점
- 33.5 °C · 33.5 °C
- 끓는 점
- 290.73 °C · 290.73°C (rough estimate)
- 밀도
- 1.001 · 1.0010 (rough estimate)
- 굴절률
- 1.5128 · 1.5128 (estimate)
- 산도 계수 (pKa)
- 12.24 · 12.24±0.30(Predicted)
- EPA
- 1 · Hydroperoxide, 1-methyl-1-[4-(1-methylethyl)phenyl]ethyl (98-49-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403, P405, P410, P411, P420, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Hydroperoxide, 1-methyl-1-[4-(1-methylethyl)phenyl]ethyl
Hydroperoxide, 1-methyl-1-[4-(1-methylethyl)phenyl]ethyl is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hydroperoxide, 1-methyl-1-[4-(1-methylethyl)phenyl]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)
Hazard Classes and CategoriesOrg. Perox. F (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
U.S. Production2023: 75,000 - <500,000 lb
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Hydroperoxide, 1-methyl-1-[4-(1-methylethyl)phenyl]ethyl: ACTIVE
상·하류 제품 정보
상류 원료
공급사1 곳
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