Valerophenone

HCID 66093

기본 정보

CAS
1009-14-9
표준 SMILES
CCCCC(=O)c1ccccc1
InChIKey
XKGLSKVNOSHTAD-UHFFFAOYSA-N
분자식
C11H14O
평균 분자량
162.23 g/mol
단동위원소 질량
162.10446507

이름 및 식별자

우선 이름
Valerophenone
IUPAC
1-phenylpentan-1-one
영어명
Valerophenone
분자식
C11H14O
분자량
162.23

이름 및 동의어

Valerophenone1-phenylpentan-1-one1009-14-9Butyl phenyl ketone1-Pentanone, 1-phenyl-PentanophenoneF27Q043NT1NSC-58959DTXSID0061406CHEBI:36812RefChem:193558DTXCID1032563
이름 더 보기
Methylpropiophenonearomatic ketonen-ValerophenoneValerophenone 99%NSC 58959Valerophenone 99%erophenone
213-767-31-Phenyl-1-pentanoneMFCD000094801-phenyl-pentan-1-onePentanoylbenzeneSB-270466; n-butyl phenyl ketonen-Butyl phenyl ketoneUNII-F27Q043NT1

데이터베이스 식별자

CAS
1009-14-9
PubChem CID
66093
DTXSID
DTXSID0061406
ChEMBL
CHEMBL372105
ChEBI
CHEBI:36812
UNII
F27Q043NT1
EC Number
213-767-3
Nikkaji
J30.878A

물성

구조 계산 물성

XLogP
3
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
4
무거운 원자 수
12

실험 및 물리화학적 성질

Boiling Point245.00 °C. @ 760.00 mm Hg
Melting Point-9.4 °C
Physical DescriptionLiquid
Kovats Retention Index · 2건

1327

1359.5;1355.6;1365.7;1366.2;1372.6;1373.2;1378.7;1372;1374;1374;1374;1374;1375;1375;1375;1376;1376;1378;1380;1364

물리화학적 성질

녹는점
-9 °C · -9 °C
끓는 점
244 · 244-245 °C (lit.)
밀도
0.975 g/mL · 0.975 g/mL at 20 °C (lit.)
굴절률
20 · n20/D 1.5143(lit.)
인화점
217 °F · 217 °F
저장 조건
Sealed in dry,Room Temperature

화학적 성질

Valerophenone is a colorless to Light yellow to Light orange clear liquid that is soluble in organic solvents.

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.

Warning

H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (20%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 4 of 5 reports by companies.;There is 1 notification provided by 1 of 5 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

Status: Active Update: 20-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32687

1-Pentanone, 1-phenyl-: 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.

Hazard Classes and CategoriesSkin Irrit. 2 (20%);Eye Irrit. 2A (20%);STOT SE 3 (20%)

규제 정보

Regulatory Information · 2건

Status: Active Update: 20-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32687

1-Pentanone, 1-phenyl-: 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.

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29143990
risk_code
36/37/38
hazard_code
Xi
safety_code
22-24/25-36-26

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

General Manufacturing Information1-Pentanone, 1-phenyl-: ACTIVE

응용 분야

용도Valerophenone is an aromatic ketone that is often used as a tool in the study of various photochemical processes. It is used as intermediates of liquid crystals. It is also an inhibitor of the enzyme carbonyl reductase.

공급사100 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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]

추가 설명

정의ChEBI: Valerophenone is an aromatic ketone that consists of benzene substituted by a pentanoyl group. It has a role as a volatile oil component and a plant metabolite.

관련 반응

6건

화합물 노트

불러오는 중…