CAS 544-64-9 Myristoleic Acid (HCID 5281119)

概要

Myristoleic acid is a tetradecenoic acid in which the double bond is at the 9-10 position and has Z configuration. Myristoleic acid has been isolated from Serenoa repens and has cytotoxic and apoptosis-inducing effects. It has a role as an apoptosis inducer, a plant metabolite and an EC 3.1.1.1 (carboxylesterase) inhibitor. It is a long-chain fatty acid and a tetradecenoic acid. It is a conjugate acid of a myristoleate.

名称と識別子

優先名称: Myristoleic Acid
IUPAC: (Z)-tetradec-9-enoic acid
現地名: (9Z)-9-テトラデセン酸
英語名: MYRISTOLEIC ACID
分子式: C14H26O2
分子量: 226.35

名称と別名

Myristoleic acid544-64-9(Z)-Tetradec-9-enoic acid9Z-tetradecenoic acidcis-9-tetradecenoic acid9-Tetradecenoic acid, (9Z)-9-Tetradecenoic acid(9Z)-Tetradecenoic acidcis-tetradec-9-enoic acidRF23WGD123DTXSID5041568CHEBI:27781

名称をさらに表示

ミリストオレイン酸ミリストレン酸(Z)-9-テトラデセン酸ミリストル酸(9Z)-9-テトラデセン酸ミリストレイン酸（Z）-テトラデカ-9-エン酸C14:1 (CIS-9) ACIDMYRISTOLEIC ACID 99%(z)-9-tetradecenoicaci(Z)-9-TetradecenoicacidMyristoleic Acid(C14:1)9(Z)-Tetradecanoic acid

14:1(N-5)RefChem:160412Fatty Acid 14:1 n-5DTXCID3021568208-876-8(9Z)-tetradec-9-enoic acidMyristolenic acidsodium myristoleate

データベース識別子

CAS: 544-64-9
PubChem CID: 5281119
DTXSID: DTXSID5041568
ChEMBL: CHEMBL456732
ChEBI: CHEBI:27781
UNII: RF23WGD123
EC Number: 208-876-8
Nikkaji: J11.362J

物性

構造計算による物性

XLogP: 5.1
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: 11
重原子数: 16
形式電荷: 0
複雑度: 185

実験および物理化学的性質

Lipids · 2 件

Lipids -> Unambiguous Lipids

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]

Physical Description · 2 件

Liquid

Collision Cross Section159.6 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids]

物理化学的性質

融点: 4.5 · −4.5-−4 °C(lit.)
沸点: 144 °C0.6 · 144 °C0.6 mm Hg(lit.)
比重(密度): 0.9 g/mL · 0.9 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.4562(lit.)
闪点: 62 °C · 62 °C
貯蔵温度: -20 °C · -20°C
溶解性: ベンゼン（微量）、クロロホルム（微量）、メタノール（微量）
外見: 液体
酸解離定数(Pka): 4.78 · 4.78±0.10(Predicted)
色: 無色
由来生物: plant
InChI: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-
InChIKey: YWWVWXASSLXJHU-WAYWQWQTSA-N
SMILES: C(O)(=O)CCCCCCC/C=C\CCCC
LogP: 5.383 · 5.383 (est)
EPAの化学物質情報: 9 · 9-Tetradecenoic acid, (9Z)- (544-64-9)

化学的性質

化学的特性Colorless liquid. Found in fatof some seeds and in fish oil.

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 82.1% (569 of 693) of all reports.

Warning

H315 (13.9%): 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 693 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

9-Tetradecenoic acid, (9Z)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9-Tetradecenoic acid, (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-Tetradecenoic acid, (9Z)-: 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.

EPA Safer ChemicalChemical: Myristoleic acid

Hazard Classes and CategoriesSkin Irrit. 2 (13.9%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: NA 1993 / PGIII
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

薬理情報

Tissue LocationsAdipose Tissue

Cellular LocationsExtracellular

用途と製造

U.S. Production2023: 1,000,000 - <5,000,000 lb

Consumer UsesBinder

Industry UsesAnti-static agent

Household ProductsInformation on 2 consumer products that contain Myristoleic acid in the following categories is provided:

Use Classification · 2 件

EPA Safer Chemical Functional Use Classes -> Surfactants

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

General Manufacturing Information · 2 件

Plastics Product Manufacturing

9-Tetradecenoic acid, (9Z)-: ACTIVE

応用分野

使用Myristoleic Acid induces apoptosis and necrosis in human prostrate cancer cell LNCaP, and is of a potential for developing an attractive new tool for the treatment of prostrate cancer.

上流・下流製品情報

下流製品

セチル-M

サプライヤー94 社

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

化合物ノート

読み込み中…

(9Z)-9-テトラデセン酸

基本情報

概要