Lilac acetaldehyde (HCID 61006)

概要

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

名称と識別子

優先名称: Lilac acetaldehyde
IUPAC: 2-(4-methylphenyl)acetaldehyde
現地名: 4-メチルベンゼンアセトアルデヒド
英語名: p-Methylphenylacetaldehyde
分子式: C9H10O
分子量: 134.18

名称と別名

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

名称をさらに表示

(4-メチルフェニル)アセトアルデヒド2-(4-メチルフェニル)アセトアルデヒド4-メチルベンゼンアセトアルデヒドp-トリルアセトアルデヒドpトリルアセトアルデヒドp-メチルフェニルアセトアルデヒドFEMA 3071Tolylacetaldehydp-Tolylacetaldehyd4-tolyacetaldehyde4-TOLYLACETALDEHYDEp-Toly-acetoaldehyde2-P-TOLYLACETALDEHYDE

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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.9
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 101

実験および物理化学的性質

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 · 3 件

1162 mg/L @ 20 °C (exp)

Insoluble in water; soluble in oils

Miscible at room temperature (in ethanol)

物理化学的性質

融点: 40 °C · 40°C
沸点: 221.5 °C · 221.5°C (estimate)
比重(密度): 1.0052 · 1.0052
屈折率: 1.5255 · 1.5255 (estimate)
FEMA: 3071 · 3071 | P-TOLYLACETALDEHYDE
貯蔵温度: 2 · 2-8°C
臭い (Odor): 10 %。新鮮な甘い緑の皮質、ライラック、水仙、ナッツのようなフェノール、フルーティーなチェリー · ジプロピレングリコール中10.00%。新鮮な甘い緑の皮質、ライラック、水仙、ナッツのようなフェノール、フルーティーなチェリー
においのタイプ: 緑
JECFA Number: 1023 · 1023
化粧品成分の機能: ヘアカラーリング
LogP: 2.24 · 2.24
EPAの化学物質情報: 4 · Benzeneacetaldehyde, 4-methyl- (104-09-6)

化学的性質 · 1 件

化学的特性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.

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 3 件

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%)

安全データ

tsca: TSCA listed

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

Use Classification · 4 件

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

調製方法 · 1 件

製造方法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.