기본 정보
- CAS
99-72-9- 표준 SMILES
Cc1ccc(C(C)C=O)cc1- InChIKey
JTZWVKUZBNHSSW-UHFFFAOYSA-N- 분자식
- C10H12O
- 평균 분자량
- 148.2 g/mol
- 단동위원소 질량
- 148.088815
개요
2-(4-Methylphenyl)propanal is a monoterpenoid.
이름 및 식별자
- 우선 이름
- 2-(p-Tolyl)propanal
- IUPAC
- 2-(4-methylphenyl)propanal
- 영어명
- FEMA 3078
- 분자식
- C10H12O
- 분자량
- 148.2
이름 및 동의어
2-(4-methylphenyl)propanal99-72-92-(p-Tolyl)propanalalpha,4-Dimethylbenzeneacetaldehyde2-(p-Tolyl)propionaldehyde2-(p-Methylphenyl)propionaldehydeHydratropaldehyde, p-methyl-Benzeneacetaldehyde, alpha,4-dimethyl-BENZENEACETALDEHYDE, .ALPHA.,4-DIMETHYL-2-(4-TOLYL)PROPANALDTXSID60526652-(P-TOLYL)-PROPIONALDEHYDE [FHFI]
이름 더 보기
FEMA 30782-(PARA-TOLYL)PROPANALp-methyl-hydratropaldehyd2-(p-tolyl)-propionaldehyd2-(p-tolyl)propionicaldehydePARA-METHYLHYDRATROPALDEHYDE
2-(p-tolyl)-propionaldehydeRefChem:4617362-(p-Methylphenyl)propanala,4-DimethylbenzeneacetaldehydeDTXCID3031238(+-)2-(P-TOLYL)PROPANAL2-(P-TOLYL)PROPANAL, (+-)-p-Methylhydratropaldehyde
데이터베이스 식별자
- CAS
99-72-9- PubChem CID
- 60990
- DTXSID
DTXSID6052665- ChEBI
CHEBI:195896- UNII
- QCM2X1V31N
- EC Number
- 202-782-0
- Nikkaji
- J35.361B
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 123
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.979-0.985
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in oils; Insoluble in water
Soluble (in ethanol)
Boiling Point
222.00 to 224.00 °C. @ 760.00 mm Hg
222-224 °C
Refractive Index1.513-1.517
Physical DescriptionColourless oily liquid; Intense, sweet, refreshing aroma similar to peppermint
물리화학적 성질
- 끓는 점
- 208.81 °C · 208.81°C (rough estimate)
- 밀도
- 0.8884 · 0.8884 (rough estimate)
- 굴절률
- 1.5003 · 1.5003 (estimate)
- FEMA
- 3078 · 3078 | 2-(P-TOLYL)PROPIONALDEHYDE
- 냄새
- 10 % · 디프로필렌 글리콜 중 10.00%. 꽃의 녹색 달콤한 나무가 우거진 허브 가루
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (259 of 259) of all reports.
Not Classified
Aggregated GHS information provided per 259 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzeneacetaldehyde, .alpha.,4-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzeneacetaldehyde, .alpha.,4-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzeneacetaldehyde, .alpha.,4-dimethyl-: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
- 독성
- The acute oral LD50 value in rats was reported as 3.50 g/kg (2.40-4.60 g/kg) (Moreno, 1973). The acute dermal LD50 value in rabbits was reported as > 5 g/kg (Moreno, 1973).
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzeneacetaldehyde, .alpha.,4-dimethyl-: ACTIVE
응용 분야
출처Has apparently not been reported to occur in nature
용도2-(4-Methylphenyl)propanal is used as a reactant in the asymmetric synthesis of α-branched homoallylic aldehydes.
제조 방법
By reaction of α-terpinene and chromyl chloride in carbon disulfide and subsequent hydrolysis of the resulting cymenechromyl chloride addition product; also by heating p-tolyl glycidic acid and water.
공급사5 곳
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
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