アラキジン酸
Eicosanoic Acid
基本情報
- CAS
506-30-9- 標準SMILES
CCCCCCCCCCCCCCCCCCCC(=O)O- InChIKey
VKOBVWXKNCXXDE-UHFFFAOYSA-N- 分子式
- C20H40O2
- 平均分子量
- 312.5 g/mol
- 単同位体質量
- 312.30283051
概要
Icosanoic acid is a C20 striaght-chain saturated fatty acid which forms a minor constituent of peanut (L. arachis) and corn oils. Used as an organic thin film in the production of liquid crystals for a wide variety of technical applications. It has a role as a plant metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of an icosanoate.
名称と識別子
- 優先名称
- Eicosanoic Acid
- IUPAC
- icosanoic acid
- 現地名
- アラキジン酸
- 英語名
- Arachidic acid
- 分子式
- C20H40O2
- 分子量
- 312.53
名称と別名
Arachidic acidIcosanoic acidEICOSANOIC ACID506-30-9Arachic acidn-Eicosanoic acidPQB8MJD4RBfatty acid 20:0C20:0NSC-93983DTXSID1060134CHEBI:28822
名称をさらに表示
アラキジン酸アラキン酸イコサン酸エイコサン酸エイコサン酸標準品イコサノン酸アラキジン酸標準品C20CAPRICIcosansureEicosansαureeicosoic acid
DTXCID3040859RefChem:5559208-031-3Arachidinic acidElcosanoic AcidMFCD00002755Arachidicn-eicosanoate
データベース識別子
- CAS
506-30-9- PubChem CID
- 10467
- DTXSID
DTXSID1060134- ChEMBL
CHEMBL1173381- ChEBI
CHEBI:28822- UNII
- PQB8MJD4RB
- EC Number
- 208-031-3
- Nikkaji
- J2.607G
物性
構造計算による物性
- XLogP
- 8.5
- 極性表面積
- 37.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 18
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 226
実験および物理化学的性質
Chemical ClassesBiological Agents -> Fatty Acids and Fats
Lipids
Lipids -> Unambiguous Lipids
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Straight chain fatty acids [FA0101]
Cosmetics
Cosmetic ingredients (Arachidic Acid) -> CIR (Cosmetic Ingredient Review)
Emulsifying
LogP
9.29
9.29
Boiling Point328.00 °C. @ 760.00 mm Hg
Melting Point75.4 °C
Physical Description
Liquid; Other Solid
Solid; [Merck Index] White crystalline flakes; [Alfa Aesar MSDS]
Solid
Ionization Efficiency
Positive
1.25
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Collision Cross Section
184.8 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids]
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
This chemical does not meet GHS hazard criteria for 10.2% (29 of 285) of reports.
Warning
H315 (89.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 285 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Eicosanoic acid
Eicosanoic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Eicosanoic acid 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)
REACH registered substance: Icosanoic acid (EC: 208-031-3)
Eicosanoic acid: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Eicosanoic acid: Environment tier I assessment
Hazards Summary
n-Alkyl carboxylic acids: Category members demonstrate low acute oral, dermal, and inhalation toxicity; Low potential to cause skin sensitization; Low repeated-dose toxicity; Low or no reproductive or developmental toxicity; [EPA ChAMP: Hazard Characterization] A skin and strong eye irritant; [Alfa Aesar MSDS]
EPA Safer ChemicalChemical: Eicosanoic acid
Hazard Classes and CategoriesSkin Irrit. 2 (89.8%)
毒性情報
化学と産業
薬理情報
Tissue LocationsPlacenta
Cellular LocationsCytoplasm
用途と製造
Uses
CIR ingredient: Arachidic Acid
Fatty acid present in peanut oil, vegetable oil, fish oil, etc.; [Merck Index]
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesSoil amendments (fertilizers)
Industry UsesIntermediate
Household ProductsInformation on 20 consumer products that contain Arachidic acid in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Surfactants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Cosmetics -> Emulsifying
General Manufacturing Information
Mining (except Oil and Gas) and support activities
Eicosanoic acid: ACTIVE
応用分野
解説イコサン酸，イコサンサン，エイコサン酸ともいう．炭素数20の飽和直鎖脂肪酸．動物，植物油中にグリセリドの形で含まれている．アラキドン酸を還元しても得られる．融点75.5 ℃，沸点328 ℃(一部分解)，205 ℃(13 Pa)，d41000.8240．水，アセトンに難溶，エーテル，クロロホルム，熱エタノールに可溶．
用途機器分析の標準。
天然物の起源Arachidic acid is a saturated long-chain fatty acid and a minor constituent of peanut oil, coconut oil and corn oil.
関連反応
57 件
化合物ノート
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