パルミチン酸無水物

Palmitic anhydride

HCID 69339CAS 623-65-4

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCC
InChIKey: QWZBEFCPZJWDKC-UHFFFAOYSA-N
分子式: C32H62O3
平均分子量: 494.8 g/mol
単同位体質量: 494.46989584

名称と識別子

優先名称: Palmitic anhydride
IUPAC: hexadecanoyl hexadecanoate
現地名: パルミチン酸無水物
英語名: Palmitic anhydride
分子式: C32H62O3
分子量: 494.83

名称と別名

Palmitic anhydride623-65-4Palmitic acid anhydrideHexadecanoic acid, anhydrideUNII-33JHB8GS9633JHB8GS96EINECS 210-805-0NSC 285112NSC-285112DTXSID601014660RefChem:169716DTXCID20818407

名称をさらに表示

パルミチン酸無水物二パルミチン酸無水物ジパルミチン酸無水物ビス(パルミチン酸)無水物ビスヘキサデカン酸無水物ビスパルミチン酸無水物ジヘキサデカン酸無水物無水パルミチン酸Palmitic AnhydrideeDipalmitic anhydridePalmiticAnhydride>Bispalmitic anhydridePalmitic anhydride 97%Palmitic anhydride,96%Palmitic anhydride 99+%Bishexadecanoic anhydride

210-805-0QWZBEFCPZJWDKC-UHFFFAOYSA-Nhexadecanoyl hexadecanoateHexadecanoic anhydrideMFCD00008992C32H62O3Hexadecanoic acid, 1,1'-anhydriden-hexadecanoic anhydride

データベース識別子

CAS: 623-65-4
PubChem CID: 69339
DTXSID: DTXSID601014660
UNII: 33JHB8GS96
EC Number: 210-805-0
Nikkaji: J24.134B

物性

構造計算による物性

XLogP: 14.6
極性表面積: 43.4 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 30
重原子数: 35
形式電荷: 0
複雑度: 406

物理化学的性質

融点: 61 · 61-64 °C (lit.)
沸点: 547.77 °C · 547.77°C (rough estimate)
比重(密度): 0.8388 · 0.8388
屈折率: 1.4364 · 1.4364 (estimate)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: almost transparency in Toluene
外見: powder to crystal
色: White to Almost white
BRN: 1807507 · 1807507
InChI: InChI=1S/C32H62O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)35-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
InChIKey: QWZBEFCPZJWDKC-UHFFFAOYSA-N
SMILES: C(=O)(CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
LogP: 14.107 · 14.107 (est)
CAS データベース: 623 · 623-65-4(CAS DataBase Reference)
EPAの化学物質情報: Palmitic acid anhydride (623-65-4)

化学的性質

化学的特性white powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H290 (35.4%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 65 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesMet. Corr. 1 (35.4%)

安全データ

F: 10-21
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 29159000
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45-25
hazard_class: 8
packing_group: III
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationHexadecanoic acid, 1,1'-anhydride: ACTIVE

応用分野

使用Palmitic anhydride was used in the synthesis of water-soluble N-palmitoyl chitosan (PLCS) by coupling with swollen chitosan in dimethyl sulfoxide (DMSO). It was also used in the synthesis of N-acylphosphatidylserine.

一般的な説明Palmitic anhydride reacted with 20-methyl spirolide G to form a derivative with a retention time and spectrum identical with the metabolite, 17-O-palmitoyl-20-methyl spirolide G.

調製方法 · 1 件

純化方法It is moisture sensitive and hydrolyses in water. Purify it by refluxing with acetic anhydride for 1hour, evaporating and freeing the residue of acetic acid and anhydride by drying the residue at high vacuum and recrystallising from pet ether at low temperature. [Beilstein 2 IV 1181.]