페닐노르말프로필케톤

Butyrophenone

HCID 10315CAS 495-40-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCC(=O)c1ccccc1
InChIKey
FFSAXUULYPJSKH-UHFFFAOYSA-N
분자식
C10H12O
평균 분자량
148.2 g/mol
단동위원소 질량
148.088815

개요

Butyrophenone is synthetic agents containing the phenyl-1-butanone group, most Butyrophenones are neuroleptic (antipsychotic) drugs, such as haloperidol, droperidol, or azaperone, that control schizophrenic symptoms (hallucinations, delusions, dementia). Most antipsychotic agents interfere with neurotransmitter functions, usually blocking dopamine receptors, and induce behavioral, endocrine, motor-kinetic effects. (NCI04)

이름 및 식별자

우선 이름
Butyrophenone
IUPAC
1-phenylbutan-1-one
현지명
페닐노르말프로필케톤
영어명
Butyrophenone
분자식
C10H12O
분자량
148.2

이름 및 동의어

BUTYROPHENONE1-phenylbutan-1-onen-Butyrophenone1-Butanone, 1-phenyl-Phenyl propyl ketone1-Phenyl-1-butanonePropyl phenyl ketoneDTXSID3047059UNII-186I11WB5B186I11WB5BNSC 8463NSC-8463
이름 더 보기
뷰티로페논페닐노르말프로필케톤Butanophenone1-phenyl-1-butanonButerophenoneButhrophenoneButyrylbenzene
EINECS 207-799-7AI3-02062DTXCID1027059nButyrophenone1Phenyl1butanone1Phenylbutan1one1Butanone, 1phenylRefChem:122373

데이터베이스 식별자

CAS
495-40-9
PubChem CID
10315
DTXSID
DTXSID3047059
ChEMBL
CHEMBL193524
UNII
186I11WB5B
EC Number
207-799-7
Nikkaji
J43.576G

물성

구조 계산 물성

XLogP
2.5
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
3
무거운 원자 수
11

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aromatic Ketones
SpringerMaterials PropertiesChemical shift
FragrancesFragrance Ingredient (Butyrophenone) -> IFRA transparency List
LogP2.66
Flavoring AgentsEU Flavoring substances
Vapor Pressure0.08 [mmHg]

물리화학적 성질

녹는점
11 · 11-13 °C(lit.)
끓는 점
228 · 228-230 °C(lit.)
밀도
1.021 g/mL · 1.021 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.520(lit.)
인화점
192 °F · 192 °F
저장 조건
30 °C · Store below +30°C.

화학적 성질

colourless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 67.4% (89 of 132) of all reports.

Danger

H317 (31.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 132 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 1-Butanone, 1-phenyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

1-Butanone, 1-phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 1-Butanone, 1-phenyl-: Human health tier I assessment
Hazards SummarySafe when used as a flavoring agent in food; [EFSA] May cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Sens. 1 (31.8%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29143900
risk_code
41-43
hazard_code
Xi
safety_code
26-36/37/39-24/25-23

화학 및 산업

용도 및 제조

Use ClassificationFragrance Ingredients
General Manufacturing Information1-Butanone, 1-phenyl-: ACTIVE

응용 분야

용도Butyrophenone is used as intermediates of Liquid Crystals

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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