Octyl Gallate (HCID 61253)

概要

Octyl gallate is a gallate ester obtained by condensation of the carboxy group of gallic acid with the hydroxy group of octanol. It has a role as a hypoglycemic agent, a plant metabolite and a food antioxidant.

名称と識別子

優先名称: Octyl Gallate
IUPAC: octyl 3,4,5-trihydroxybenzoate
現地名: 没食子酸n-オクチル
英語名: Octyl gallate
分子式: C15H22O5
分子量: 282.33

名称と別名

Octyl gallate1034-01-1Octyl 3,4,5-trihydroxybenzoaten-Octyl gallateProgallin OStabilizer GA 8Gallic acid, octyl esterGallic acid octyl esterBENZOIC ACID, 3,4,5-TRIHYDROXY-, OCTYL ESTEROktylester kyseliny galloveDTXSID4040713n-Octyl ester of 3,4,5-trihydroxybenzoic acid

名称をさらに表示

没食子酸n-オクチル安定剤GA-83,4,5-トリヒドロキシ安息香酸オクチルプロガリンO没食子酸オクチル没食子酸オクチル標準品没食子酸 n-オクチル没食子酸N-オクチル, 98+%オクチル 3,4,5-トリヒドロキシベンゾアートStabilizer GA-8OCTYLGALLATE(RG)Gallic acid octyln-OctylGallate>Octyl gallate CRSn-Octyl gallate, 98+%

DTXCID2020713E311NSC-97419079IIA2811INS NO.311PPC-17CHEBI:83631INS-311

データベース識別子

CAS: 1034-01-1
PubChem CID: 61253
DTXSID: DTXSID4040713
ChEMBL: CHEMBL277346
ChEBI: CHEBI:83631
UNII: 079IIA2811
EC Number: 213-853-0
Nikkaji: J12.253J

物性

構造計算による物性

XLogP: 3.7
極性表面積: 87 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 9
重原子数: 20
形式電荷: 0
複雑度: 269

実験および物理化学的性質

LogP · 2 件

3.66

Food AdditivesANTIOXIDANT -> FDA Substance added to food

Solubility · 2 件

Insoluble in water, freely soluble in ethanol, ether and propane-1,2-diol

0.036 mg/mL at 20 °C

Endocrine DisruptorsPotential endocrine disrupting compound

Melting Point · 2 件

Between 99 °C and 102 °C after drying at 90 °C for six hours

94 - 95 °C

Physical Description · 2 件

White to creamy-white odourless solid

Solid

物理化学的性質

融点: 101 · 101-104 °C(lit.)
沸点: 262.5 °C · 262.5°C (estimate)
比重(密度): 1.0984 · 1.0984 (rough estimate)
屈折率: 1.62 · 1.6200 (estimate)
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 2.5 % · 可溶2.5% 無色透明 (AcOH (MEOH))
外見: Solid
酸解離定数(Pka): 7.94 · 7.94±0.25(Predicted)
色: ホワイトからオフホワイト
水溶解度: 20 mg/L · 20mg/L(29.99℃)
BRN: 2132305 · 2132305
主な用途: 洗浄剤化粧品食品および飲料パーソナルケア
化粧品成分の機能: 抗酸化物質
InChI: InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3
InChIKey: NRPKURNSADTHLJ-UHFFFAOYSA-N
SMILES: C(OCCCCCCCC)(=O)C1=CC(O)=C(O)C(O)=C1
LogP: 3.66 · 3.660
CAS データベース: 1034 · 1034-01-1(CAS DataBase Reference)
EPAの化学物質情報: 3 · Benzoic acid, 3,4,5-trihydroxy-, octyl ester (1034-01-1)

化学的性質

化学的特性White powder

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 13.4% (11 of 82) of reports.

Warning

H302 (86.6%): Harmful if swallowed [Warning Acute toxicity, oral]

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzoic acid, 3,4,5-trihydroxy-, octyl ester

Regulation (EC) No 1333/2008 (amended)

Octyl Gallate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories · 3 件

Acute Tox. 4 (86.6%)

Acute toxicity - category 4

Acute Tox. 4 *

毒性情報

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

安全データ

wgk: 1
tsca: TSCA listed
rtecs: LW8225000
毒性: LD50 orally in Rabbit: 1960 mg/kg
hs_code: 2918 29 00
risk_code: 22-43
化審法: (3)-3071
hazard_code: Xn
safety_code: 24-37
Hazard Classifications: Acute Tox. 4 OralSkin Sens. 1
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

MeSH Pharmacological ClassificationSubstances capable of inhibiting, retarding or arresting the process of fermentation, acidification or other deterioration of foods.

Cellular LocationsMembrane

用途と製造

Use Classification · 2 件

Food additives

Food Additives -> ANTIOXIDANT -> JECFA Functional Classes

General Manufacturing InformationBenzoic acid, 3,4,5-trihydroxy-, octyl ester: ACTIVE

応用分野 · 4 件

用途抗酸化剤。

説明During the 1940s, propyl gallate and several other alkyl gallates were allowed for use in foods in a number of countries. Since gallic acid contains three phenolic hydroxyl groups, it is a rather potent antioxidant; however, the propyl ester has a significant degree of water solubility. As a consequence, propyl gallate tends to partition into any water phase which may be present and to complex with iron salts to give bluish black colors. Also, its relatively poor resistance to heat degradation makes it ineffective for baking and frying applications. The higher alkyl gallates (butyl and octyl) are more fat soluble.

使用Octyl gallate is an antioxidant that is used as a preservation agent in a wide variety of foods, oils, and cosmetics.

一般的な説明Octyl gallate is an ester of gallic acid which is generally used as an antioxidant in food and pharmaceutical industries. It can act against the oxidative damage caused by reactive oxygen species (ROS) in the form of hydroxyl radicals or hydrogen peroxides, and reactive sulfur species (RSS)

上流・下流製品情報

上流原料

3,4,5-トリヒドロキシ安息香酸クロリド没食子酸ブチル没食子酸イソプロピル没食子酸エチルガロイルアルコール没食子酸プロピル没食子酸メチル 1-オクタノール

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

補足説明

定義本品は、没食子酸(*)と2-エチルヘキシルアルコールのエステルであり、次の化学式で表される。参照表示名称：没食子酸

定義ChEBI: A gallate ester obtained by condensation of the carboxy group of gallic acid with the hydroxy group of octanol.

没食子酸n-オクチル

基本情報

概要