tert-아밀하이드로퍼옥사이드
tert-Amyl hydroperoxide
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기본 정보
- CAS
3425-61-4- 표준 SMILES
CCC(C)(C)OO- InChIKey
XRXANEMIFVRKLN-UHFFFAOYSA-N- 분자식
- C5H12O2
- 평균 분자량
- 104.15 g/mol
- 단동위원소 질량
- 104.08372962
이름 및 식별자
- 우선 이름
- tert-Amyl hydroperoxide
- IUPAC
- 2-hydroperoxy-2-methylbutane
- 현지명
- tert-아밀하이드로퍼옥사이드
- 영어명
- tert-Amyl hydroperoxide
- 분자식
- C5H12O2
- 분자량
- 104.15
이름 및 동의어
tert-Amyl hydroperoxide3425-61-4t-Amyl hydroperoxideTrigonox TAHPtert-Pentyl hydroperoxide1,1-Dimethylpropyl hydroperoxidetert-AmylhydroperoxideHydroperoxide, 1,1-dimethylpropyl8DSG8F2WBPtertiary-amyl hydroperoxideJ69.507FTAH 85
이름 더 보기
tert-아밀하이드로퍼옥사이드TAHP1-AMYLHYDROPEROXIDETert-amyhyl droperoxide2-hydroperoxy-2-methyl-butane
DTXSID6029256RefChem:891491DTXCID209256222-321-72-hydroperoxy-2-methylbutanetert-Amyl hydroperoxide, tech grade2-methylbutane-2-peroxolEINECS 222-321-7
데이터베이스 식별자
- CAS
3425-61-4- PubChem CID
- 76962
- DTXSID
DTXSID6029256- UNII
- 8DSG8F2WBP
- EC Number
- 222-321-7
- Nikkaji
- J69.507F
물성
구조 계산 물성보충 중
- XLogP
- 1.1
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 50
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Peroxides, Organic
Physical DescriptionLiquid; CBI
물리화학적 성질
- 녹는점
- -70 °C · -70°C
- 끓는 점
- 135.3 °C · 135.3°C (rough estimate)
- 밀도
- 0.905 · 0.905
- 증기압
- 43.2 hPa · 43.2hPa at 25℃
- 굴절률
- 1.5 · 1.5000 (estimate)
- 인화점
- 41 ℃ · 41℃
- 산도 계수 (pKa)
- 12.71 · 12.71±0.50(Predicted)
- 물리적 상태
- 액체 또는 기체
- 냄새
- 맑은 물-wh. 액체. 또는 가스, 날카로운 냄새
- 수용성
- 63.25 g/L · 63.25g/L at 20℃
- InChI
- InChI=1S/C5H12O2/c1-4-5(2,3)7-6/h6H,4H2,1-3H3
- InChIKey
- XRXANEMIFVRKLN-UHFFFAOYSA-N
- SMILES
- C(OO)(C)(C)CC
- LogP
- 2.9 · 2.9
- EPA
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H226 (97.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P234, P235, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P370+P378, P391, P403, P403+P233, P403+P235, P405, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 131 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Hydroperoxide, 1,1-dimethylpropyl is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hydroperoxide, 1,1-dimethylpropyl 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)
REACH registered substance: tert-pentyl hydroperoxide (EC: 222-321-7)
Hydroperoxide, 1,1-dimethylpropyl: 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.
Hazards Summary
Causes changes in lung weight, methemoglobinemia, effects to cytochrome oxidases, general anesthesia, acute pulmonary edema, and hematuria in inhalation lethal-concentration and oral lethal-dose studies of rats and mice; [RTECS] See tert-Butyl hydroperoxide.
Hazard Classes and CategoriesFlam. Liq. 3 (97.7%)
독성 정보
Adverse EffectsNeurotoxin - Other CNS neurotoxin
화학 및 산업
용도 및 제조
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesPlasticizer
General Manufacturing Information
CBI
Hydroperoxide, 1,1-dimethylpropyl: ACTIVE
응용 분야
용도tert-AmylHydroperoxide is a free radical initiator; used in preparation of low-dielectric high-strength resin compound, prepreg and laminate.
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