2,5-디메틸-2,5-디히드로과옥시헥산

2,5-Dimethylhexane 2,5-dihydroperoxide

HCID 520470

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3025-88-5
표준 SMILES: CC(C)(CCC(C)(C)OO)OO
InChIKey: JGBAASVQPMTVHO-UHFFFAOYSA-N
분자식: C8H18O4
평균 분자량: 178.23 g/mol
단동위원소 질량: 178.12050905

이름 및 식별자

우선 이름: 2,5-Dimethylhexane 2,5-dihydroperoxide
IUPAC: 2,5-dihydroperoxy-2,5-dimethylhexane
현지명: 2,5-디메틸-2,5-디히드로과옥시헥산
영어명: 2,5-DIMETHYLHEXANE-2,5-DIHYDROPEROXIDE
분자식: C8H18O4
분자량: 178.23

이름 및 동의어

2,5-Dimethylhexane-2,5-dihydroperoxide2,5-Dimethylhexane 2,5-dihydroperoxideHydroperoxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis-Hydroperoxide, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis-RefChem:444583221-184-03025-88-52,5-DIMETHYL-2,5-DIHYDROPEROXYHEXANE2,5-dihydroperoxy-2,5-dimethylhexaneLuperox 2,5-2,52,5-dimethylhexane-2,5-diperoxolEINECS 221-184-0

이름 더 보기

2-5디메틸헥산2-5디하이드로퍼옥사이드2,5-다이메틸-2,5-다이하이드로과옥시헥산2,5-디메틸-2,5-디히드로과옥시헥산2,5-다이메틸헥산-2,5-다이하이드로퍼옥사이드LUPEROX2,5-2,52,5-BIS(HYDROPEROXY)2,5-DIMETHYLHEXANE2,5-Dimethylhexane-2,5-dihydroxyperoxide2,5-Dimethylhexane-2,5-diyldihydroperoxide2,5-Dimethylhexane-2,5-diyl bis(hydroperoxide)dimethylhexanedihydroperoxide,with18%ormorewater1,1,4,4-tetramethyltetramethylene dihydroperoxide

SCHEMBL70932DTXSID30871881Dimethylhexane dihydroperoxide (dry)AKOS0062743222,5-dimethyl-2,5-dihydroperoxy hexane2,5-dimethyl-2,5-dihydroperoxy-hexane2,5-di(hydroperoxy)-2,5-dimethylhexane2,5-Dimethyl-2,5-bis-(hydroperoxy)hexane

데이터베이스 식별자

CAS: 3025-88-5
PubChem CID: 520470
DTXSID: DTXSID30871881
EC Number: 221-184-0
Nikkaji: J3.045G

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 58.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 12
형식 전하: 0
복잡도: 115

물리화학적 성질

녹는점: 105 °C · 105 °C
끓는 점: 230.46 °C · 230.46°C (rough estimate)
밀도: 1.0268 · 1.0268 (rough estimate)
굴절률: 1.4209 · 1.4209 (estimate)
산도 계수 (pKa): 12.28 · 12.28±0.50(Predicted)
EPA: 1 · Hydroperoxide, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis- (3025-88-5)

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 8.9% (4 of 45) of reports.

Danger

H240 (86.7%): Heating may cause an explosion [Danger Self-reactive substances and mixtures; Organic peroxides]

P210, P234, P235, P240, P280, P370+P372+P380+P373, P403, P410, P411, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 4 of 45 reports by companies.；There are 3 notifications provided by 41 of 45 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 · 2건

Chemical: Hydroperoxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis-

Hydroperoxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis-: 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.

DOT Hazard Classification · 2건

2,5-Dimethyl-2,5-dihydroperoxy hexane, with more than 82 percent with water

Forbidden explosives/materials (49 eCFR § 173.54/§ 173.21)

Hazard Classes and CategoriesOrg. Perox. A (86.7%)

규제 정보

Regulatory Information · 2건

Chemical: Hydroperoxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis-

안전 데이터

tsca: TSCA listed
ridadr: 3102
포장분류: II
위험 등급: 5.2
기존화학 물질: KE-33562

화학 및 산업

용도 및 제조

General Manufacturing InformationHydroperoxide, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis-: ACTIVE

응용 분야 · 1건

일반 설명White wet solid. May float or sink in water. 2,5-DIMETHYLHEXANE-2,5-DIHYDROPEROXIDE is particularly sensitive to temperature rises. Above a given "Control Temperature" they decompose violently. 2,5-DIMETHYLHEXANE-2,5-DIHYDROPEROXIDE is generally stored or transported in a water slurry.