기본 정보
- 표준 SMILES
CC(C)(C)C(=O)c1ccc(Oc2ccccc2)cc1- InChIKey
ITEMAFJPIQQQMO-UHFFFAOYSA-N- 분자식
- C17H18O2
- 평균 분자량
- 254.32 g/mol
- 단동위원소 질량
- 254.13067981
이름 및 식별자
- 우선 이름
- 1-Propanone, 2,2-dimethyl-1-(4-phenoxyphenyl)-
- IUPAC
- 2,2-dimethyl-1-(4-phenoxyphenyl)propan-1-one
- 현지명
- tert-부틸4-페녹시페닐케톤)
- 영어명
- TERT-BUTYL 4-PHENOXYPHENYL KETONE)
- 분자식
- C17H18O2
- 분자량
- 254.32
이름 및 동의어
55814-54-51-Propanone, 2,2-dimethyl-1-(4-phenoxyphenyl)-KSX92RLB294-PHENOXY-PIVALOPHENONEtert-Butyl 4-phenoxyphenyl ketoneDTXSID402044092,2-Dimethyl-1-(4-phenoxyphenyl)-1-propanoneRefChem:436312DTXCID90126900684-352-62,2-dimethyl-1-(4-phenoxyphenyl)propan-1-one4'-Phenoxypivalophenone
이름 더 보기
tert-부틸4-페녹시페닐케톤)tert-Butyl p-phenoxyphenyl ketoneα,α-Dimethyl-4'-phenoxypropiophenone2,2-Dimethyl-3-(p-phenoxyphenyl)propan-3-one
2,2-Dimethyl-1-(4-phenoxy-phenyl)-propan-1-oneTERT-BUTYL 4-PHENOXYPHENYL KETONE)MFCD00009856p-phenoxypivalophenoneUNII-KSX92RLB29SCHEMBL8357803SBB057779AKOS009157341
데이터베이스 식별자
- CAS
55814-54-5- PubChem CID
- 41633
- DTXSID
DTXSID40204409- UNII
- KSX92RLB29
- EC Number
- 684-352-6
- Nikkaji
- J236.401H
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 289
물리화학적 성질
- 녹는점
- 52 · 52-54 °C(lit.)
- 끓는 점
- 175 °C/3 · 175 °C/3 mmHg(lit.)
- 밀도
- 1.0621 · 1.0621 (rough estimate)
- 굴절률
- 1.589 · 1.5890 (estimate)
- 인화점
- 113 °C · 113 °C
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
안전 데이터
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
화학 및 산업
공급사2 곳
珠海奥博凯生物医药技术有限公司400-0628126
BOC Sciences+1-631-485-4226 · [email protected]
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