기본 정보
- CAS
25155-25-3- 표준 SMILES
CC(C)(C)OOC(C)(C)c1ccccc1C(C)(C)OOC(C)(C)C- InChIKey
CCNDOQHYOIISTA-UHFFFAOYSA-N- 분자식
- C20H34O4
- 평균 분자량
- 338.5 g/mol
- 단동위원소 질량
- 338.24570956
개요
Bis(tert-butyldioxyisopropyl)benzene is a white crystalline solid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Bis(tert-butyldioxyisopropyl)benzene
- IUPAC
- 1,2-bis(2-tert-butylperoxypropan-2-yl)benzene
- 현지명
- 1,4(또는 1,3)-비스[(t-부틸퍼옥시)이소프로필]벤젠
- 영어명
- Bis(tert-butyldioxyisopropyl)benzene
- 분자식
- C20H34O4
- 분자량
- 338.48
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
25155-25-3- PubChem CID
- 11856263
- Nikkaji
- J155.570G
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 36.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 349
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 44 · 44-48 °C(lit.)
- 끓는 점
- 434.61 °C · 434.61°C (rough estimate)
- 밀도
- 1.63 g/mL · 1.63 g/mL at 25 °C(lit.)
- 증기압
- 0 Pa · 0Pa at 20℃
- 굴절률
- 1.6 · 1.6000 (estimate)
- 인화점
- 230 °F · >230 °F
- 색상
- Yellow
- 수용성
- 21 °C에서 · 21°C에서 <0.1g/100mL
- InChI
- InChI=1S/C20H34O4/c1-17(2,3)21-23-19(7,8)15-11-13-16(14-12-15)20(9,10)24-22-18(4,5)6/h11-14H,1-10H3
- InChIKey
- GWQOYRSARAWVTC-UHFFFAOYSA-N
- SMILES
- C1(=CC=C(C(C)(C)OOC(C)(C)C)C=C1)C(C)(C)OOC(C)(C)C
- LogP
- 7.3 at · 7.3 at 20℃
- EPA
- (Phenylenediisopropylidene)bis(tert-butylperoxide) (25155-25-3)
안전 및 규제
유해성 정보
안전 및 보호
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- SD8431900
- ridadr
- UN 3106 5.2
- 독성
- skn-rbt 100%/24H MLD HERBU* PRC-304
- risk_code
- 8-36/37-20-7-53
- hazard_code
- O,Xn
- safety_code
- 17-36-26-36/37/39-3/7-14
- 포장분류
- II
- 위험 등급
- 5.2
- 기존화학 물질
- KE-28332
화학 및 산업
응용 분야
일반 설명White crystalline solid.
공급사55 곳
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