4-에틸벤즈알데히드

4-Ethylbenzaldehyde

HCID 20861CAS 4748-78-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCc1ccc(C=O)cc1
InChIKey
QNGNSVIICDLXHT-UHFFFAOYSA-N
분자식
C9H10O
평균 분자량
134.17 g/mol
단동위원소 질량
134.07316494

이름 및 식별자

우선 이름
4-Ethylbenzaldehyde
IUPAC
4-ethylbenzaldehyde
현지명
4-에틸벤즈알데히드
영어명
4-Ethylbenzaldehyde
분자식
C9H10O
분자량
134.18

이름 및 동의어

4-ETHYLBENZALDEHYDE4748-78-1p-EthylbenzaldehydeBenzaldehyde, 4-ethyl-4-ethyl benzaldehydeEthylbenzaldehyde, p-FEMA No. 3756289PPW3SG4Benzaldehyde, P-ethyl-DTXSID0047080BENZALDEHYDE,4-ETHYLEINECS 225-268-8
이름 더 보기
4-에틸벤즈알데하이드4-에틸벤즈알데히드9-안트라세닐메틸메틸황화물FEMA 3756Ethyl-benzaldehydeethylbenzaldhydeAKOS BBS-000031474-ethyl-benzaldehydLABOTEST-BB LT00429577
DTXCID80270804-ETHYLBENZALDEHYDE [FHFI]RefChem:522845225-268-8InChI=1/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H4-EthYl-BenzaldehydeEbalEthyl benzaldehyde

데이터베이스 식별자

CAS
4748-78-1、53951-50-1
PubChem CID
20861
DTXSID
DTXSID0047080
ChEMBL
CHEMBL1887227
ChEBI
CHEBI:167400
UNII
289PPW3SG4
EC Number
225-268-8
Nikkaji
J38.078D

물성

구조 계산 물성

XLogP
2.4
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
10

실험 및 물리화학적 성질

Density0.980-1.000
Solubility · 2건

insoluble in water; soluble in organic solvents, oils

miscible at room temperature (in ethanol)

Boiling Point · 2건

220.00 to 222.00 °C. @ 760.00 mm Hg

220 °C

Refractive Index1.538-1.542
Physical Descriptioncolourless to pale yellow liquid with a sweet, bitter-almond odour
Kovats Retention Index · 3건

1164；1180；1181；1163；1206；1175；1169；1194；1169；1206；1155；1171；1181；1171；1164；1164.2；197

1719；1721；1730；1714；1712；1730；1745；1714；1730；1714；1753；1728；1735；1752；1753；1711；1719；1731；1735；1747

1154；1174；1152；1147

물리화학적 성질

끓는 점
221 °C · 221 °C (lit.)
밀도
0.979 g/mL · 0.979 g/mL at 25 °C (lit.)
증기압
16.67 Pa · 16.67Pa at 25℃
굴절률
20 · n20/D 1.539(lit.)
FEMA
3756 · 3756 | 4-ETHYLBENZALDEHYDE
인화점
198 °F · 198 °F

화학적 성질

4-Ethylbenzaldehyde has a sweet, bitter-almond odor

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (15.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (15.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (13.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 281 reports by companies from 4 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

Regulatory Information · 4건

Chemical: Benzaldehyde, 4-ethyl-

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

Status: Active Update: 23-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27052

Benzaldehyde, 4-ethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (85.1%)；Skin Irrit. 2 (15.3%)；Eye Irrit. 2A (15.3%)；STOT SE 3 (13.9%)

규제 정보

Regulatory Information · 4건

Chemical: Benzaldehyde, 4-ethyl-

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

Status: Active Update: 23-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27052

Benzaldehyde, 4-ethyl-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29122990
risk_code
36/37/38-22
hazard_code
Xi,Xn
safety_code
26-27-28-36/37/39-37/39

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

IFRA Fragrance Standards · 6건

p-Ethylbenzaldehyde

4-Ethylbenzaldehyde; Benzaldehyde, 4-ethyl

IFRA_STD_034.pdf

49

IFRA 51st Amendment - Guidance for the use of IFRA Standards

Restriction: This material should be used only in the limited quantity as stated in the Standard

Use Classification · 4건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationBenzaldehyde, 4-ethyl-: ACTIVE
Restriction Limits in the Finished Product (%) · 6건

0.085 [Products applied to the lips]

0.025 [Products applied to the axillae]

0.51 [Products applied to the face/body using fingertips]

0.47 [Products related to fine fragrances]

0.12 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]

0.12 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]

응용 분야 · 3건

출처Reported found in roasted turkey, grilled and roasted beef, roasted chicken, cider, black tea, roasted peanuts and cooked trassi

용도4-Ethylbenzaldehyde has been used in the synthesis of 4,4′-diaminotriphenylmethanes under microwave irradiation, which is useful for parallel library syntheses.

일반 설명4-Ethylbenzaldehyde is a by-product of disinfection. Kinetic constants (KI) of 4-ethylbenzaldehyde for inhibition of the diphenolase activity of mushroom tyrosinase has been investigated.

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]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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