기본 정보
- CAS
4511-39-1- 표준 SMILES
CCC(C)(C)OOC(=O)c1ccccc1- InChIKey
RFSCGDQQLKVJEJ-UHFFFAOYSA-N- 분자식
- C12H16O3
- 평균 분자량
- 208.25 g/mol
- 단동위원소 질량
- 208.10994437
이름 및 식별자
- 우선 이름
- tert-Pentyl perbenzoate
- IUPAC
- 2-methylbutan-2-yl benzenecarboperoxoate
- 현지명
- TERT-아밀퍼록시벤조에이트90
- 영어명
- Tert-Amyl peroxybenzoate
- 분자식
- C12H16O3
- 분자량
- 208.25
이름 및 동의어
4511-39-1Benzenecarboperoxoic acid, 1,1-dimethylpropyl estertert-Amyl peroxybenzoateKD 1 (peroxide)Experox 5100tert-Pentyl perbenzoateESP 5100EINECS 224-831-5DTXSID2063503RefChem:896610DTXCID5040382224-831-5
이름 더 보기
TERT-아밀퍼록시벤조에이트90Luperox? TAPLuperox(R) TAPamylperbenzoatetert.-Amylperbenzoattert-AmylperoxybenzoateTert-amyl peroxy benzonateTERT-AMYL PEROXYBENZOATE 90TERT-AMYL PEROXYBENZOATE 90%Perbenzoic acid tert-amyl ester
2-methylbutan-2-yl benzenecarboperoxoatet-amylperoxybenzoateSCHEMBL2526478VCF48V7FDB-221890NS00031484
데이터베이스 식별자
- CAS
4511-39-1- PubChem CID
- 78267
- DTXSID
DTXSID2063503- UNII
- 78VCF48V7F
- EC Number
- 224-831-5
- Nikkaji
- J167.489G
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 205
실험 및 물리화학적 성질
Physical DescriptionCBI
물리화학적 성질
- 끓는 점
- 298.9 · 298.9±9.0 °C(Predicted)
- 밀도
- 1.01 g/mL · 1.01 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.501(lit.)
- 인화점
- 43 °C · 43 °C
- InChI
- InChI=1S/C12H16O3/c1-4-12(2,3)15-14-11(13)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
- InChIKey
- RFSCGDQQLKVJEJ-UHFFFAOYSA-N
- SMILES
- C1(C(OOC(C)(C)CC)=O)=CC=CC=C1
- EPA
- 1 · Benzenecarboperoxoic acid, 1,1-dimethylpropyl ester (4511-39-1)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 83.3% (5 of 6) of all reports.
Danger
H226 (16.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P234, P235, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403, P403+P235, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Benzenecarboperoxoic acid, 1,1-dimethylpropyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenecarboperoxoic acid, 1,1-dimethylpropyl ester 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)
Benzenecarboperoxoic acid, 1,1-dimethylpropyl ester: 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 CategoriesFlam. Liq. 3 (16.7%)
안전 데이터
- tsca
- TSCA listed
- ridadr
- 3105
- risk_code
- 7-10-36/37/38
- hazard_code
- O,Xi
- safety_code
- 14-26-3/7-36/37/39
- 포장분류
- II
- 위험 등급
- 5.2
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
Industry UsesCBI
General Manufacturing Information
CBI
Benzenecarboperoxoic acid, 1,1-dimethylpropyl ester: ACTIVE
공급사18 곳
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
辽宁中茂新材料有限公司+86-13656229759; +86-13656229759 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
辽宁中茂新材料有限公司13656229759; 13656229759 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
湖北世腾化工科技有限公司19086915685 18971850150 · [email protected]
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