4-에틸벤즈알데히드
4-Ethylbenzaldehyde
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기본 정보
- CAS
4748-78-1- 표준 SMILES
CCc1ccc(C=O)cc1- InChIKey
QNGNSVIICDLXHT-UHFFFAOYSA-N- 분자식
- C9H10O
- 평균 분자량
- 134.17 g/mol
- 단동위원소 질량
- 134.07316494
개요
4-Ethylbenzaldehyde is a carbonyl compound.
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. 3756Benzaldehyde, P-ethyl-289PPW3SG4DTXSID0047080BENZALDEHYDE,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 물성보충 중
- 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
- 형식 전하
- 0
- 복잡도
- 101
실험 및 물리화학적 성질
SpringerMaterials PropertiesCoriolis coupling
Fragrances
Fragrance substance (p-Ethylbenzaldehyde) -> IFRA amendment 49
Fragrance Ingredient (4-Ethylbenzaldehyde) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.980-1.000
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
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
물리화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]
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.
유해성 정보
Regulatory Information
Chemical: Benzaldehyde, 4-ethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 4-ethylbenzaldehyde (EC: 225-268-8)
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%)
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
- 위험 등급
- IRRITANT
- 기존화학 물질
- KE-13531
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
IFRA Fragrance Standards
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
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 (%)
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
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.
관련 반응
81건
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