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2-フェニル酢酸イソプロピル

Isopropyl Phenylacetate

HCID 62553
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
4861-85-2
標準SMILES
CC(C)OC(=O)Cc1ccccc1
InChIKey
SSMBXPJYHMZLOJ-UHFFFAOYSA-N
分子式
C11H14O2
平均分子量
178.23 g/mol
単同位体質量
178.09937969

概要

Isopropyl phenylacetate is a clear pale yellow liquid. (NTP, 1992)

名称と識別子

優先名称
Isopropyl Phenylacetate
IUPAC
propan-2-yl 2-phenylacetate
現地名
2-フェニル酢酸イソプロピル
英語名
Isopropyl phenylacetate
分子式
C11H14O2
分子量
178.23

名称と別名

Isopropyl phenylacetatepropan-2-yl 2-phenylacetateBenzeneacetic acid, 1-methylethyl esterBenzeneacetic acid 1-methylethyl ester1-Methylethyl benzeneacetateFEMA No. 2956Acetic acid, phenyl-, isopropyl esterDTXSID1025483UNII-A8L7NAJ0YOA8L7NAJ0YOEINECS 225-468-5Phenylacetic acid, isopropyl ester
名称をさらに表示
ベンゼン酢酸イソプロピル2-フェニル酢酸イソプロピルベンゼン酢酸1-メチルエチルフェニル酢酸イソプロピルフェニル酢酸1-メチルエチルFEMA 2956ISOPROPYLYPHENYL ACETATE4-Isopropylyphenyl AcetateIsopropylphenylacetate,98%propan-2-yl 2-phenylethanoateISOPROPYL PHENYLACETATE 99+%Isopropyl phenylacetate USP/EP/BP
ISOPROPYL BENZENEACETATEDTXCID905483ISOPROPYL PHENYLACETATE [FHFI]RefChem:149834225-468-5SSMBXPJYHMZLOJ-UHFFFAOYSA-N4861-85-2Isopropyl 2-phenylacetate

データベース識別子

CAS

物性

構造計算による物性

XLogP
2.6
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
4
重原子数
13
形式電荷
0
複雑度
157

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density · 2 件

1.3 at 70.7 °F (NTP, 1992) - Denser than water; will sink

1.006-1.012 (20 °C)

Flavoring AgentsEU Flavoring substances
Solubility · 3 件

less than 1 mg/mL at 68.9 °F (NTP, 1992)

Insoluble in water; soluble in oils

Miscible at room temperature (in ethanol)

Flash Point203 °F (NTP, 1992)
Boiling Point · 3 件

486 to 489 °F at 760 mmHg (NTP, 1992)

157.00 to 165.00 °C. @ 12.00 mm Hg

238-253 °C

Refractive Index1.483-1.491
Physical Description · 2 件

Isopropyl phenylacetate is a clear pale yellow liquid. (NTP, 1992)

Colourless liquid; powerful ethereal or winey-honey-like, sweet odour

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS ClassificationNot Classified

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzeneacetic acid, 1-methylethyl ester

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

Benzeneacetic acid, 1-methylethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzeneacetic acid, 1-methylethyl ester: Human health tier I assessment
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This chemical does not present a serious hazard in normal use. However, it should be borne in mind that the toxicological and physiological properties are not yet well defined. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile · 1 件

ISOPROPYL PHENYLACETATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesNot Classified

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

Use Classification · 3 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationBenzeneacetic acid, 1-methylethyl ester: ACTIVE

応用分野

説明Isopropyl phenylacetate has a fragrant, rose-like scent and a sweet, honey-like flavor with a wine undertone.

一般的な説明Clear pale yellow liquid.

サプライヤー28 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
梯希爱(上海)化工贸易有限公司

関連反応

0 件
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現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
4861-85-2
PubChem CID
62553
DTXSID
DTXSID1025483
ChEMBL
CHEMBL1449867
ChEBI
CHEBI:173835
UNII
A8L7NAJ0YO
EC Number
225-468-5
Nikkaji
J260.915K

物理化学的性質

融点
25 · 25-27 °C
沸点
157 · 157-165 °C12 mm Hg(lit.)
比重(密度)
1.001 g/mL · 1.001 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.488(lit.)
FEMA
2956 · 2956 | ISOPROPYL PHENYLACETATE
闪点
225 °F · 225 °F
臭い (Odor)
100 %で。甘いスイカズラの粉のような蔓 · 100.00%で。甘いスイカズラの粉のような蔓
においのタイプ
花柄
JECFA Number
1011 · 1011
BRN
1866839 · 1866839
安定性
安定。強力な酸化剤とは相容れない。可燃性。
化粧品成分の機能
香料
LogP
2.774 · 2.774 (est)
EPAの化学物質情報
1 · Benzeneacetic acid, 1-methylethyl ester (4861-85-2)

化学的性質

化学的特性Isopropyl phenylacetate has a fragrant, rose-like scent; sweet, honey-like flavor with a wine undertone

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

安全データ

wgk
3
tsca
TSCA listed
safety_code
24/25
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