Octacosanoic acid (HCID 10470)

名称と識別子

優先名称: Octacosanoic acid
IUPAC: octacosanoic acid
現地名: n-オクタコサン酸
英語名: OCTACOSANOIC ACID
分子式: C28H56O2
分子量: 424.74

名称と別名

OCTACOSANOIC ACID506-48-9Montanic acidn-octacosanoic acid4BKL1A0KJYNSC-407311DTXSID2075051CHEBI:31001RefChem:167558DTXCID7040863208-041-8octacosoic acid

名称をさらに表示

n-オクタコサン酸オクタコサン酸モンタン酸オクタコサン酸標準品HW-SWLicowax SNsc407311Licowax SFLmontanicaciOctacosansureOctacosanoic aCARBOXYLIC ACID C28

MFCD00002812n-octacosanoateFA 28:0octacosanoicacidC28:0UNII-4BKL1A0KJYoctacosoateOctacosansaeure

データベース識別子

CAS: 506-48-9
PubChem CID: 10470
DTXSID: DTXSID2075051
ChEMBL: CHEMBL2261064
ChEBI: CHEBI:31001
UNII: 4BKL1A0KJY
EC Number: 208-041-8
Nikkaji: J11.820F

物性

構造計算による物性

XLogP: 12.9
極性表面積: 37.3 Å²
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: 26
重原子数: 30
形式電荷: 0
複雑度: 327

実験および物理化学的性質

Melting Point90.9 °C

Physical Description · 2 件

White flakes; [Sigma-Aldrich MSDS]

Solid

物理化学的性質

融点: 91 · 91-93 °C(lit.)
沸点: 466.99 °C · 466.99°C (rough estimate)
比重(密度): 0.8887 · 0.8887 (rough estimate)
屈折率: 1.4772 · 1.4772 (estimate)
貯蔵温度: 2 · 2-8°C
溶解性: 50 mg/mL · クロロホルム：可溶50mg/mL 無色透明
外見: 液体
酸解離定数(Pka): 4.78 · 4.78±0.10(Predicted)
色: White to Almost white
BRN: 1801616 · 1801616
InChI: InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)
InChIKey: UTOPWMOLSKOLTQ-UHFFFAOYSA-N
SMILES: C(O)(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC
CAS データベース: 506 · 506-48-9(CAS DataBase Reference)
EPAの化学物質情報: Octacosanoic acid (506-48-9)

化学的性質

化学的特性white fine crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 2 of 3 reports by companies.；There is 1 notification provided by 1 of 3 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 InformationOctacosanoic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryNot considered hazardous by GHS classification; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

法規制情報

Regulatory InformationOctacosanoic acid: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: -
hs_code: 2915.90.1800
化審法: (2)-419, (2)-608
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Tissue LocationsFibroblasts

Cellular LocationsExtracellular；Membrane

Metabolite PathwaysAcylcarnitine Octacosanoylcarnitine

応用分野

使用Octacosanoic Acid (cas# 506-48-9) is a useful lubricant compound for preparing flame-retardant and antibacterial sound-insulating tape.

一般的な説明Octacosanoic acid is one of the components of the fruit of Hippophae rhamnoides. It is also present in the aerial part of Curcuma wenyujin.

上流・下流製品情報

上流原料

セバシン酸臭化ナトリウムステアリン酸ナトリウムジエチルエーテル (無水)水銀塩酸塩化スルフィニル硝酸マグネシウム·6水和物

下流製品

オクタコサン酸メチル

サプライヤー50 社

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

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

山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

補足説明

定義ChEBI: A C28, very long straight-chain, saturated fatty acid.

n-オクタコサン酸

基本情報