フェノキシアセトアルデヒド

Phenoxyacetaldehyde

HCID 75033CAS 2120-70-9
部分構造検索類似構造を探す

基本情報

標準SMILES
O=CCOc1ccccc1
InChIKey
XFFILAFLGDUMBF-UHFFFAOYSA-N
分子式
C8H8O2
平均分子量
136.15 g/mol
単同位体質量
136.0524295

名称と識別子

優先名称
Phenoxyacetaldehyde
IUPAC
2-phenoxyacetaldehyde
現地名
フェノキシアセトアルデヒド
英語名
Cortex aldehyde 50 benzyl alcohol
分子式
C8H8O2
分子量
136.15

名称と別名

2120-70-9PhenoxyacetaldehydeAcetaldehyde, 2-phenoxy-NSC-49355NDR6B5CSP6DTXSID10518583-06-00-00588 (Beilstein Handbook Reference)RefChem:172911DTXCID4030415218-329-52-phenoxyacetaldehydeCortex aldehyde
名称をさらに表示
コルテックスアルデヒドフェノキシアセトアルデヒド2-フェノキシアセトアルデヒド2-(phenoxy)ethanalCORTEX ALDEHYDE 50 P.ASINEX-REAG BAS 02858203phenoxyacetaldehyde 50% in peomosa
Acetaldehyde, phenoxy-phenoxy acetaldehydeMFCD00134414CORTEX ALDEHYDE 50 BENZYL ALCOHOLphenoxy-acetaldehydNSC49355EINECS 218-329-5NSC 49355

データベース識別子

CAS
2120-70-9
PubChem CID
75033
DTXSID
DTXSID1051858
UNII
NDR6B5CSP6
EC Number
218-329-5
Nikkaji
J33.410C

物性

構造計算による物性

XLogP
1.8
極性表面積
26.3 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
3
重原子数
10

実験および物理化学的性質

FragrancesFragrance Ingredient (Phenoxyacetaldehyde) -> IFRA transparency List

物理化学的性質

融点
38 °C · 38°C
沸点
210.42 °C · 210.42°C (rough estimate)
比重(密度)
1.115 · 1.1150 (rough estimate)
屈折率
1.509 · 1.5090 (estimate)
貯蔵温度
-20 °C · Inert atmosphere,Store in freezer, under -20°C
溶解性
Ractically insoluble in water, soluble in alcohol and oils.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 293 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationChemical: Acetaldehyde, phenoxy-
Other Safety InformationIMAP assessments - Acetaldehyde, phenoxy-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

tsca
TSCA listed
毒性
skn-rbt 500 mg/24H MOD FCTXAV 14,659,76

化学と産業

用途と製造

IFRA Fragrance Standards · 6 件

Phenoxyacetaldehyde

Phenoxyacetaldehyde; Acetaldehyde, phenoxy-; Cortex aldehyde 50; 2-Phenoxyacetaldehyde; Acetaldehyde, 2-phenoxy-

IFRA_STD_261.pdf

51

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 ClassificationFragrance Ingredients
General Manufacturing InformationAcetaldehyde, 2-phenoxy-: ACTIVE
Restriction Limits in the Finished Product (%) · 6 件

0.045 [Products applied to the lips]

0.014 [Products applied to the axillae]

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

0.25 [Products related to fine fragrances]

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

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

応用分野 · 2 件

天然物の起源Has apparently not been reported to occur in nature.

使用2-phenoxyacetaldehyde is used in perfume compositions. It performs particularly well with the Ionones and Methylionones for woodyfloral complexes, and in Geranium for powerful, fresh-green effects. It can also give lift and novel effects in Lavender with Oakmoss, in Chypre, etc. It is an aldehyde of considerable versatility and power.

調製方法

製造方法From phenol in weak aqueous alkali with monochloroacetaldehyde dimethyl acetal to yield the acetal which is then hydrolysed.

上流・下流製品情報

サプライヤー33 社

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]

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