基本情報
- 標準SMILES
CCCCCCCC/C=C\CCCCCCCC(N)=O- InChIKey
FATBGEAMYMYZAF-KTKRTIGZSA-N- 分子式
- C18H35NO
- 平均分子量
- 281.5 g/mol
- 単同位体質量
- 281.27186474
名称と識別子
- 優先名称
- Oleamide
- IUPAC
- (Z)-octadec-9-enamide
- 現地名
- オレイン酸アミド
- 英語名
- Oleamide
- 分子式
- C18H35NO
- 分子量
- 281.48
名称と別名
名称をさらに表示
データベース識別子
- CAS
301-02-0- PubChem CID
- 5283387
- DTXSID
DTXSID6027137- ChEMBL
CHEMBL15927- ChEBI
CHEBI:116314- UNII
- 7L25QK8BWO
- EC Number
- 206-103-9
- Nikkaji
- J36.613G
物性
構造計算による物性
- XLogP
- 6.6
- 極性表面積
- 43.1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 15
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 236
実験および物理化学的性質
Melting Point
76 °C
102 - 104 °C
Physical Description
Large Crystals; Dry Powder; Liquid; Dry Powder; Large Crystals; Other Solid; Dry Powder; Large Crystals
Ivory-colored solid; [HSDB]
Solid
Kovats Retention Index
2375;2397
3265
物理化学的性質
- 融点
- 70 °C · 70°C
- 沸点
- 433.3 · 433.3±24.0 °C(Predicted)
- 比重(密度)
- 0.94 g/cm3 · 0.94 g/cm3
- 貯蔵温度
- -20 °C · -20°C
- 溶解性
- DMSO (25 mg/ml) に可溶。エタノール(40mg/ml)
- 酸解離定数(Pka)
- 16.61 · 16.61±0.40(Predicted)
- 外見
- Solid
- 色
- ホワイトからオフホワイト
- 水溶解度
- Insoluble in water.
- 安定性
- -20 °Cで最大1か月保存できます。 · DMSO溶液またはエタノール溶液で-20°Cで最大1か月保存できます。
- 化粧品成分の機能
- 不透明剤粘度制御
- InChI
- 1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-
- InChIKey
- FATBGEAMYMYZAF-KTKRTIGZSA-N
- SMILES
- CCCCCCCC\C=C/CCCCCCCC(N)=O
- LogP
- 6.882 · 6.882 (est)
- CAS データベース
- 301 · 301-02-0(CAS DataBase Reference)
- NISTの化学物質情報
- 9 · 9-Octadecenamide, (z)-(301-02-0)
- EPAの化学物質情報
- Oleamide (301-02-0)
化学的性質
化学的特性White Powder
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 42.7% (470 of 1101) of reports.
Warning
H315 (12.1%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (12.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (12.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H413 (40.2%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P271, P273, 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 1101 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 470 of 1101 reports by companies.;There are 7 notifications provided by 631 of 1101 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Chemical: 9-Octadecenamide, (Z)-
9-Octadecenamide, (9Z)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9-Octadecenamide, (9Z)- 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)
9-Octadecenamide, (9Z)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Contact urticarial reaction reported within 20 minutes of open patch test; Emergency treatment: Irritants; [HSDB] Causes mild skin and eye irritation in rabbits; Not considered sensitizing to human skin; [IUCLID] Causes changes in motor activity and excitement in acute intraperitoneal toxic-dose studies of rats and mice; [RTECS] A skin and strong eye irritant; May cause an allergic skin reaction; [Aldrich MSDS]
Hazard Classes and Categories
Skin Irrit. 2 (12.1%);Eye Irrit. 2 (12.1%);STOT SE 3 (12.1%);Aquatic Chronic 4 (40.2%)
Serious eye damage/eye irritation - Category 2B
毒性情報
法規制情報
Regulatory Information
Chemical: 9-Octadecenamide, (Z)-
9-Octadecenamide, (9Z)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9-Octadecenamide, (9Z)- 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)
9-Octadecenamide, (9Z)-: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29241990
- risk_code
- 36/37/38-43
- 化審法
- (2)-824, (2)-976
- hazard_code
- Xi
- safety_code
- 26-36-37
- Hazard Classifications
- Aquatic Chronic 4
- ストレージクラス
- 11 - Combustible Solids
- 有毒物質データの
- 301-02-0(Hazardous Substances Data)
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances used in the processing or storage of foods or animal feed including ANTIOXIDANTS; FOOD PRESERVATIVES; FOOD COLORING AGENTS; FLAVORING AGENTS; ANTI-INFECTIVE AGENTS; EXCIPIENTS and other similarly used substances. Many of the same substances are used as PHARMACEUTIC AIDS.
Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
用途と製造
Uses
Used as a slip and anti-block agent for extrusion of polyethylene and an additive to wax, printing inks, lubricating oils, and cosmetics; [HSDB] Used as a rubber additive, anti-static agent, dispersion aid, and mold release agent; [IUCLID]
Molding and Core Making [Category: Foundry]
SLIP-AGENT FOR EXTRUSION OF POLYETHYLENE; WAX ADDITIVE; INK ADDITIVE; COSMETICS
SLIP & ANTIBLOCK AGENT FOR PLASTICS-ESP POLYETHYLENE FILM
LUBRICATING OIL ADDITIVE
PRINTING INK ADDITIVE
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
2023: 7,000,000 - <8,500,000 lb;2022: 10,000,000 - <25,000,000 lb;2021: 10,000,000 - <25,000,000 lb;2020: 10,000,000 - <25,000,000 lb
(1980) 2.27X10+9 GRAMS (ESTIMATE)
(1981) PROBABLY GREATER THAN 6.81X10+6 GRAMS
General Manufacturing Information
Plastics Material and Resin Manufacturing;Paint and Coating Manufacturing;Adhesive Manufacturing;All Other Chemical Product and Preparation Manufacturing;Rubber Product Manufacturing;Custom Compounding of Purchased Resins;Petroleum Lubricating Oil and Grease Manufacturing;Synthetic Rubber Manufacturing;Plastics Product Manufacturing;Wholesale and Retail Trade
9-Octadecenamide, (9Z)-: ACTIVE
ADOGEN /IS/ TRADEMARK FOR SERIES OF FATTY NITROGEN CHEM INCL AMINES, AMIDES... AVAIL IN VARIOUS GRADES FOR SPECIFIC APPLICATIONS IN FABRIC SOFTENERS, ORE SEPARATION, DETERGENTS, PETROLEUM ADDITIVES, CORROSION INHIBITORS, BACTERICIDES, PRINTING INKS, ANTIBLOCK & SLIP AGENTS... /ADOGEN/
SLIP-EZE /IS/ TRADEMARK FOR A SPECIALLY PREPARED FATTY ACID AMIDE. USED AS SLIP ADDITIVE & AS INTERNAL MOLD-RELEASE ADDITIVE TO POLYETHYLENE.
応用分野
解説オレイン酸アミド (英: Oleic acid amide) とは、不飽和脂肪酸であるをアミド化した物質です。 通称「オレアミド (英: Oleamide) 」とも呼ばれています。分子式はC18H35NOで表され、1個のアミド結合と1個の二重結合を含みます。生物においては、このオレイン酸アミドは、オレイン酸との生合成によってオレイン酸から内因的に産生される物質です。 オレイン酸同様睡眠に関連する神経ペプチドと関係があると言われています。合成経路や生合成に必要な酵素は、特定されていない状態で、まだまだ研究が進んでいない物質です。 工業的にも製造され、様々な用途に使用されています。毒性や皮膚感作性は低い固体の物質ですが、目に対する刺激性があることから、目に入った場合には注意深く洗い流す必要があります。
用途ポリエチレンの押出成形用滑剤、ワックス添加剤、インク添加剤、化粧品
使用Oleamide has been used as a supplement in glucose and galactose media to prevent the rescue of galactose-induced Leigh syndrome (LS).
一般的な説明Oleamideis a lipid or a brain fatty acid, that is found in the CSF (cerebrospinal fluid). It is originally obtained from the cerebrospinal fluid of cats, that are sleep-deprived.
使用用途図2. オレイン酸アミドの使用用途 オレイン酸アミドをはじめとする脂肪酸アミドは、親油性の高い長鎖炭化水素基と親水性の高いアミド基を持つため、様々な物質表面において機能を発現します。主な特性としては、上図のようなものがあり、様々な用途へ応用が可能です。 その他、オレイン酸アミド自体の使用例は少ないですが、その界面活性剤としての特性を生かし、誘導体が洗浄剤、泡安定剤、浸透剤、湿潤剤、乳化助剤として、シャンプーや化粧品などの原料として用いられます。
上流・下流製品情報
上流原料
下流製品
サプライヤー50 社
補足説明
定義ChEBI: A fatty amide derived from oleic acid.
関連反応
関連ノート
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