Octyl Gallate (HCID 61253)

개요

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.

이름 및 식별자

우선 이름: Octyl Gallate
IUPAC: octyl 3,4,5-trihydroxybenzoate
현지명: 옥틸 몰식자산염
영어명: Octyl gallate
분자식: C15H22O5
분자량: 282.33

이름 및 동의어

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

이름 더 보기

옥틸몰식자산염카프릴릴갈레이트카프릴일갈레이트옥틸 몰식자산염Stabilizer GA-8OCTYLGALLATE(RG)Gallic acid octyln-OctylGallate>Octyl gallate CRSn-Octyl gallate, 98+%

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 87 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 9
무거운 원자 수: 20
형식 전하: 0
복잡도: 269

실험 및 물리화학적 성질

LogP · 2건

3.66

Food AdditivesANTIOXIDANT -> FDA Substance added to food

Solubility · 2건

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 · 2건

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

94 - 95 °C

Physical Description · 2건

White to creamy-white odourless solid

Solid

물리화학적 성질

녹는점: 101 · 101-104 °C(lit.)
끓는 점: 262.5 °C · 262.5°C (estimate)
밀도: 1.0984 · 1.0984 (rough estimate)
굴절률: 1.62 · 1.6200 (estimate)
저장 조건: 30 °C · Store below +30°C.
용해도: 2.5 %, · 가용성2.5%, 투명, 무색(AcOH(MEOH))
물리적 상태: Solid
산도 계수 (pKa): 7.94 · 7.94±0.25(Predicted)
색상: 흰색에서 황백색까지
수용성: 20 mg/L · 20mg/L(29.99ºC)
BRN: 2132305 · 2132305
주요 응용: 청소용품화장품음식 및 음료개인 위생 관리
화장품 원료 기능: 항산화제
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
EPA: 3 · Benzoic acid, 3,4,5-trihydroxy-, octyl ester (1034-01-1)

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 6건

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]

유해성 정보

Regulatory Information · 3건

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 · 3건

Acute Tox. 4 (86.6%)

Acute toxicity - category 4

Acute Tox. 4 *

독성 정보

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

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: LW8225000
독성: LD50 orally in Rabbit: 1960 mg/kg
HS 번호: 2918 29 00
risk_code: 22-43
hazard_code: Xn
safety_code: 24-37
Hazard Classifications: Acute Tox. 4 OralSkin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

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

Cellular LocationsMembrane

용도 및 제조

Use Classification · 2건

Food additives

Food Additives -> ANTIOXIDANT -> JECFA Functional Classes

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

응용 분야 · 3건

개요During 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.

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

일반 설명Octyl 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)

상·하류 제품 정보

상류 원료

공급사50 곳

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]

추가 설명

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

연결된 노트

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옥틸 몰식자산염

기본 정보

개요