Glyceryl Monooleate (HCID 5283468)

概要

1-oleoylglycerol is a 1-monoglyceride where the acyl group is oleoyl. It has a role as a plant metabolite. It is a 1-acylglycerol 18:1 and a monooleoylglycerol. It is functionally related to an oleic acid.

名称と識別子

優先名称: Glyceryl Monooleate
IUPAC: 2,3-dihydroxypropyl (Z)-octadec-9-enoate
現地名: モノオレイン
英語名: Glyceryl Monooleate
分子式: C21H40O4
分子量: 356.54

名称と別名

MonooleinGlyceryl monooleatealpha-MonooleinGLYCEROL MONOOLEATEGlycerol oleate25496-72-4Nikkol MGOMonoglyceryl oleateOleic monoglycerideGlycerine monooleateOleoylglycerolOlicine

名称をさらに表示

モノオレイングリセリル-1-オレアート(Z)-9-オクタデセン酸2,3-ジヒドロキシプロピルオレイン酸2,3-ジヒドロキシプロピルグリセロールα-モノオレアートグリセリン1-オレアートグリセロール1-オレアートα-グリセリンモノオレアート1-O-オレオイルグリセロール(9Z)-9-オクタデセン酸2,3-ジヒドロキシプロピル1-O-[(9Z)-9-オクタデセノイル]グリセロール1-モノオレインα-モノオレイン1-モノオレオイルグリセロールグリセロールモノオレアート1-O-[(Z)-1-オキソ-9-オクタデセニル]グリセロールオレイン酸グリセリルオレイン酸＝2，3-ジヒドロキシプロピル1-オレオイル-RAC-グリセリンモノオレイン, 5 mg/mL in PyridineGlyceryl oleateGMO9-Octadecenoic acid (Z)-, 2,3-dihydroxypropyl ester1-Monooleoylglycerol1-OLEOYL-RAC-GLYCEROL1-OleoylglycerolAblunol GMO

Supeol1-Mono(cis-9-octacenoyl)glycerol2,3-dihydroxypropyl (Z)-octadec-9-enoateSinnoester ogcOleylmonoglycerideExcel O 95FDimodan LSQKEmalsy MO

データベース識別子

CAS: 111-03-5、25496-72-4
PubChem CID: 5283468
DTXSID: DTXSID3042003
ChEMBL: CHEMBL2075039、CHEMBL428593
ChEBI: CHEBI:75342
UNII: D3AEF6S35P
EC Number: 203-827-7、247-038-6
Nikkaji: J5.104G

物性

構造計算による物性

XLogP: 6.5
極性表面積: 66.8 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 19
重原子数: 25
形式電荷: 0
複雑度: 315

実験および物理化学的性質

Chemical ClassesOther Uses -> Emulsifiers/Surfactants

LipidsLipids -> Glycerolipids [GL] -> Monoradylglycerols [GL01] -> Monoacylglycerols [GL0101]

Fragrances · 2 件

Fragrance Ingredient (9-Octadecenoic acid (Z)-, monoester with 1,2,3-propanetriol) -> IFRA transparency List

Fragrance Ingredient (Glyceryl monooleate) -> IFRA transparency List

SurfactantsSurfactant

OdorSWEET

TasteFATTY TASTE

物理化学的性質

融点: 35 · 35-37 °C
沸点: 409.35 °C · 409.35°C (rough estimate)
比重(密度): 0.9407 g/cm3 · 0.9407 g/cm3 (35 ºC)
屈折率: 1.46384 · 1.46384 (589.3 nm 35℃)
FEMA: 2526 · 2526 | GLYCERYL MONOOLEATE
闪点: 180 °C · 180 °C
貯蔵温度: 2 · 2-8°C
溶解性: 50 mg/mL · クロロホルム：50 mg/mL 無色透明
酸解離定数(Pka): 13.16 · 13.16±0.20(Predicted)
外見: 個体
色: 白からオフホワイトへ
臭い (Odor): 当たり障りのない脂肪質のワックス状
においのタイプ: 当たり障りのない
由来生物: synthetic (organic)
JECFA Number: 919 · 919
BRN: 1728976 · 1728976
安定性: 吸湿性
化粧品成分の機能: 香料界面活性剤 - 乳化剤皮膚コンディショニング剤 - 保湿剤
InChI: 1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
InChIKey: RZRNAYUHWVFMIP-KTKRTIGZSA-N
SMILES: O=C(CCCCCCC/C=C\CCCCCCCC)OCC(O)CO
LogP: 6.71 · 6.71
CAS データベース: 111 · 111-03-5(CAS DataBase Reference)
EPAの化学物質情報: Glycerol monooleate (111-03-5)

化学的性質

化学的特性White Waxy Solid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 96.9% (492 of 508) of all reports.

Not Classified

Aggregated GHS information provided per 508 reports by companies from 5 notifications to the ECHA C&L Inventory.

This chemical does not meet GHS hazard criteria for 100% (260 of 260) of all reports.

Not Classified

Aggregated GHS information provided per 260 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 4 件

Chemical: 9-Octadecenoic acid, monoester with 1,2,3-propanetriol, (Z)-

9-Octadecenoic acid (9Z)-, monoester with 1,2,3-propanetriol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9-Octadecenoic acid (9Z)-, monoester with 1,2,3-propanetriol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

1-Glyceryl monooleate: Does not have an individual approval but may be used under an appropriate group standard

Glyceryl monooleate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 9-Octadecenoic acid, monoester with 1,2,3-propanetriol, (Z)-: Human health tier I assessment

Hazards SummaryMay cause mild irritation; [MSDSonline]

FDA Requirements · 2 件

SYNTHETIC FLAVOR INGREDIENTS- GLYCERYL MONOOLEATE: REGULATION 172.515.

REGULATION FDA 121.1164; LIMITATIONS: SYNTHETIC FLAVOR.

EPA Safer Chemical · 2 件

Chemical: Glyceryl monooleate

Chemical: Glyceryl monooleate [NF]

Hazard Classes and Categories · 2 件

Not Classified

毒性情報

Human Toxicity Excerpts · 2 件

TREATMENT OF HUMAN ERYTHROCYTE GHOST MEMBRANES WITH THE FUSOGENIC LIPID GLYCEROL MONOOLEATE INCREASED THE FLUIDITY OF THE MEMBRANE LIPIDS, BUT THE NONFUSOGENIC LIPID GLYCEROL MONOSTEARATE HAD NO EFFECT.

IF ANY OF THESE ESTERS IS SIGNIFICANTLY TOXIC, THE ACID PORTION MUST BE HELD RESPONSIBLE, NOT THE GLYCEROL. /GLYCEROL ESTERS/

法規制情報

FDA Requirements · 2 件

SYNTHETIC FLAVOR INGREDIENTS- GLYCERYL MONOOLEATE: REGULATION 172.515.

REGULATION FDA 121.1164; LIMITATIONS: SYNTHETIC FLAVOR.

安全データ

F: 3
wgk: 1
tsca: TSCA listed
ridadr: UN 1282 3/PG 2
hs_code: 29161500
risk_code: 11-20/21/22
化審法: (2)-669, (2)-2541
消防法: 危-4-3-III
hazard_code: F,Xn
safety_code: 36/37
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

Uses · 3 件

Used in foods, pharmaceuticals, cosmetics, rust-preventive oils, vinyl light stabilizers, odorless base paints, textile finishing, and flavoring; Used as emulsifier for liquid and paste waxes, polishes, and cleaners; [Hawley]

Painting (Pigments, Binders, and Biocides) [Category: Paint]

SURFACE-ACTIVE AGENT IN FOODS, PHARMACEUTICALS AND COSMETICS, ODORLESS BASE PAINTS, IN RUST-PREVENTIVE OILS, TEXTILE FINISHING, AND VINYL LIGHT STABILIZERS; FLAVORING INGREDIENT

U.S. Exports · 2 件

(1972) No Data

(1975) No Data

U.S. Imports · 2 件

(1972) No Data

(1975) No Data

U.S. Production · 3 件

2023: 5,000,000 - <10,000,000 lb

(1972) 1.25X10+9 GRAMS

(1975) 1.71X10+9 GRAMS

Consumer UsesSurface modifier

Industry UsesLubricating agent

応用分野 · 2 件

使用Glyceryl Monooleate is a flavoring agent that is prepared by esterification of commercial oleic acid that is derived either from edible sources or from tall oil fatty acids. It contains and glyceryl esters of fatty acids present in commercial oleic acid. The ingredient is also used as an adjuvant and as a solvent and vehicle.

一般的な説明1-Oleoyl-rac-glycerol is commonly known as monoolein (MO). It is an amphiphilic molecule that is made up of a glycerol backbone and a hydrocarbon chain.