Lilac acetaldehyde (HCID 61006)

개요

(4-Methylphenyl)acetaldehyde is a member of phenylacetaldehydes.

이름 및 식별자

우선 이름: Lilac acetaldehyde
IUPAC: 2-(4-methylphenyl)acetaldehyde
현지명: P-메틸페닐아세트알데히드
영어명: p-Methylphenylacetaldehyde
분자식: C9H10O
분자량: 134.18

이름 및 동의어

104-09-6(4-Methylphenyl)acetaldehyde2-(4-methylphenyl)acetaldehydep-TolylacetaldehydeP-METHYLPHENYLACETALDEHYDEBENZENEACETALDEHYDE, 4-METHYL-Lilac acetaldehyde4-MethylbenzeneacetaldehydeAcetaldehyde, p-tolyl-FEMA No. 3071Methylphenylacetaldehyde, p-EINECS 203-173-2

이름 더 보기

4-메틸벤젠아세트알데히드P-메틸페닐아세트알데히드FEMA 3071Tolylacetaldehydp-Tolylacetaldehyd4-tolyacetaldehyde4-TOLYLACETALDEHYDEp-Toly-acetoaldehyde2-P-TOLYLACETALDEHYDE

7L6760H4LHDTXSID0051524P-TOLYLACETALDEHYDE [FHFI]RefChem:799163DTXCID6030073203-173-22-(p-tolyl)acetaldehydep-Tolyl-acetaldehyde

데이터베이스 식별자

CAS: 104-09-6
PubChem CID: 61006
DTXSID: DTXSID0051524
ChEBI: CHEBI:178623
UNII: 7L6760H4LH
EC Number: 203-173-2
Nikkaji: J70.250A

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 17.1 Å²
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 PropertiesViscosity

FragrancesFragrance Ingredient (p-Tolylacetaldehyde) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.010-1.016

Flavoring AgentsEU Flavoring substances

Solubility · 3건

1162 mg/L @ 20 °C (exp)

Insoluble in water; soluble in oils

Miscible at room temperature (in ethanol)

물리화학적 성질

녹는점: 40 °C · 40°C
끓는 점: 221.5 °C · 221.5°C (estimate)
밀도: 1.0052 · 1.0052
굴절률: 1.5255 · 1.5255 (estimate)
FEMA: 3071 · 3071 | P-TOLYLACETALDEHYDE
저장 조건: 2 · 2-8°C
냄새: 10 % · 디프로필렌 글리콜 중 10.00%. 신선하고 달콤한 녹색 피질 라일락 수선화 열매가 많은 페놀성 과일 체리
냄새 유형: 녹색
JECFA Number: 1023 · 1023
화장품 원료 기능: 머리 염색
LogP: 2.24 · 2.24
EPA: 4 · Benzeneacetaldehyde, 4-methyl- (104-09-6)

화학적 성질 · 1건

p-Tolylacetaldehyde has a powerful and refreshing green-fruity, "forest-like", sweet, floral odor of moderate tenacity. The undiluted material has a rather sharp initial odor, but sweetness predominates in the diluted product. The taste is sweet-fruity, mildly green at concentrations near 10 ppm.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H317 (89.3%): 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 356 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Benzeneacetaldehyde, 4-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

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

Other Safety InformationIMAP assessments - Benzeneacetaldehyde, 4-methyl-: Environment tier I assessment

Hazard Classes and CategoriesSkin Sens. 1A (89.3%)

안전 데이터

tsca: TSCA listed

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

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 InformationBenzeneacetaldehyde, 4-methyl-: ACTIVE

제조 방법 · 1건

From p-methylbenzaldehyde; also from p-methylbenzyl chloride and hexamethylene tetramine.The methods of preparation correspond closely to those of phenylacetaldehyde. Thus, the compound can be prepared by glycidic ester synthesis from 4-methylbenzaldehyde and chloroacetate ester, by hydroformylation of 4-methylbenzylhalide with Co2(CO)8Na2CO3 in acetonitrile, or by oxidation of 4-methylstyrene.