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2-アミノ安息香酸2-メチルプロピル

Isobutyl anthranilate

HCID 24515
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
7779-77-3
標準SMILES
CC(C)COC(=O)c1ccccc1N
InChIKey
ILCLJQFCMRCPNM-UHFFFAOYSA-N
分子式
C11H15NO2
平均分子量
193.24 g/mol
単同位体質量
193.11027872

概要

Isobutyl anthranilate is a brown liquid. Insoluble in water. (NTP, 1992)

名称と識別子

優先名称
Isobutyl anthranilate
IUPAC
2-methylpropyl 2-aminobenzoate
現地名
2-アミノ安息香酸2-メチルプロピル
英語名
Isobutyl anthranilate
分子式
C11H15NO2
分子量
193.24

名称と別名

ISOBUTYL ANTHRANILATEIsobutyl 2-aminobenzoate2-Methylpropyl 2-aminobenzoateIsobutyl O-aminobenzoateAnthranilic acid, isobutyl esterFEMA No. 2182Benzoic acid, 2-amino-, 2-methylpropyl esterCCRIS 6251EINECS 231-938-0UNII-42VU4JGT9042VU4JGT90iso-butyl anthranilate
名称をさらに表示
o-アミノ安息香酸イソブチルアントラニル酸イソブチル2-アミノ安息香酸2-メチルプロピル2-メチルプロピル 2-アミノベンゾアートFEMA 2182Anthranilic acid isobutylisobutylb10361anthranilateIsobutyl anthranilate USP/EP/BPo-Aminobenzoic acid isobutyl ester2-amino-benzoicaci2-methylpropylesterBenzoicacid,2-amino-,2-methylpropylester
AI3-03443DTXSID8025460ISOBUTYL ANTHRANILATE [FHFI]RefChem:149076DTXCID1054602-AMINOBENZOIC ACID, 2-METHYLPROPYL ESTER231-938-0ILCLJQFCMRCPNM-UHFFFAOYSA-N

データベース識別子

CAS
7779-77-3

物性

構造計算による物性

XLogP
3.5
極性表面積
52.3 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
4
重原子数
14
形式電荷
0
複雑度
192

実験および物理化学的性質

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.057-1.063
Flavoring AgentsEU Flavoring substances
Solubility · 3 件

Insoluble (NTP, 1992)

Insoluble in water; Soluble in oils

Soluble (in ethanol)

Boiling Point · 3 件

313 to 315 °F at 13.5 mmHg (NTP, 1992)

118.00 to 122.00 °C. @ 3.00 mm Hg

169-170 °C (13.5 mm Hg)

Refractive Index1.534-1.540
Physical Description · 2 件

Isobutyl anthranilate is a brown liquid. Insoluble in water. (NTP, 1992)

Colourless to pale yellow liquid; Faint orange blossom-like aroma

物理化学的性質

沸点
118 °C · 118 °C
比重(密度)
1 · 1,06 g/cm3
FEMA
2182 · 2182 | ISOBUTYL ANTHRANILATE

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 Classification · 3 件

This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.

Not Classified

Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzoic acid, 2-amino-, 2-methylpropyl ester

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

Benzoic acid, 2-amino-, 2-methylpropyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzoic acid, 2-amino-, 2-methylpropyl ester: Human health tier I assessment
Fire HazardsFlash point data for this compound are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity ProfileISOBUTYL ANTHRANILATE hydrolyzes under acidic or basic conditions. (NTP, 1992)
Air and Water ReactionsThis compound is sensitive to air and light. Insoluble in water.
Hazard Classes and CategoriesNot Classified

安全と保護具

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 InformationBenzoic acid, 2-amino-, 2-methylpropyl ester: INACTIVE

応用分野

説明Isobutyl anthranilate has a faint, orange flowers odor. Prepared by heating the anhydride of N-carboxyl anthranilic acid with sodium isobutoxide and subsequently hydrolyzing the reaction product.

一般的な説明Brown liquid. Insoluble in water.

上流・下流製品情報

上流原料

イサト酸無水物イソブチルアルコールアントラニル酸

サプライヤー34 社

常州帝通化工有限公司+86-0519-88298848 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.

関連反応

1 件
反応記録を作成
HRID 2163563 の反応式
HRID 2163563生成物としてuspto-grants-1979_01

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
PubChem CID
24515
DTXSID
DTXSID8025460
ChEMBL
CHEMBL2263136
ChEBI
CHEBI:179249
UNII
42VU4JGT90
EC Number
231-938-0
Nikkaji
J47.853I
酸解離定数(Pka)
2.1 · 2.10±0.10(Predicted)
臭い (Odor)
100 %で。ブドウの甘いフルーティーなフローラルベリー · 100.00%で。ブドウの甘いフルーティーなフローラルベリー
においのタイプ
フルーティーな
JECFA Number
1537 · 1537
安定性
安定していますが、空気や光に敏感です。可燃性。酸性またはアルカリ性条件下で加水分解します。
LogP
3.45 · 3.45
CAS データベース
7779 · 7779-77-3(CAS DataBase Reference)
NISTの化学物質情報
2 · Benzoic acid, 2-amino-, 2-methylpropyl ester(7779-77-3)
EPAの化学物質情報
Isobutyl anthranilate (7779-77-3)
Fire Fighting · 1 件

This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, 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 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

tsca
TSCA listed
hazard_code
Xi
hazard_class
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