CAS 53293-00-8 5-Hexynoic acid (HCID 143036)

概要

Hex-5-ynoic acid is a hexynoic acid in which the triple bond is between the carbons at positions 5 and 6. It is a hexynoic acid and a terminal acetylenic compound.

名称と識別子

優先名称: 5-Hexynoic acid
IUPAC: hex-5-ynoic acid
現地名: 5-ヘキシン酸
英語名: 5-Hexynoic acid
分子式: C6H8O2
分子量: 112.13

名称と別名

5-Hexynoic acidhex-5-ynoic acid5-Hexyn-1-oic acidCHEBI:73511DTXSID60201415RefChem:102722DTXCID60123906610-982-8VPFMEXRVUOPYRG-UHFFFAOYSA-N53293-00-84-Ethynylbutyric acidMFCD00066346

名称をさらに表示

5-ヘキシン酸ヘキサ-5-イン酸5-hexyne acid5-HexynoicAcid>5-Hexynoicacid,97%5-hexynoic acid GMPRARECHEM AL BO 1092TIMTEC-BB SBB0090905-HEXYNOIC ACID 98%

5-HEXYNOICACID5-Hexynoic acid, 97%cid_143036BDBM46128LMFA01030500CS-W009272PB42991EN300-111911

データベース識別子

CAS: 53293-00-8
PubChem CID: 143036
DTXSID: DTXSID60201415
ChEMBL: CHEMBL1525859
ChEBI: CHEBI:73511
EC Number: 610-982-8
Nikkaji: J110.916B

物性

構造計算による物性

XLogP: 0.7
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: 3
重原子数: 8
形式電荷: 0
複雑度: 118

実験および物理化学的性質

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

物理化学的性質

融点: 27 °C · 27°C (estimate)
沸点: 224 · 224-225 °C(lit.)
比重(密度): 1.016 g/mL · 1.016 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.449(lit.)
闪点: 230 °F · 230 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: 10 mg/mlMethanol: · Acetonitrile: Soluble: =10 mg/mlMethanol: Soluble: =10 mg/ml
酸解離定数(Pka): 4 · 4+-.0.10(Predicted)
外見: 液体
色: 黄色
水溶解度: 水と混和します。
BRN: 1743192 · 1743192
InChI: InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h1H,3-5H2,(H,7,8)
InChIKey: VPFMEXRVUOPYRG-UHFFFAOYSA-N
SMILES: C(O)(=O)CCCC#C
CAS データベース: 53293 · 53293-00-8(CAS DataBase Reference)

化学的性質

化学的特性clear yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 3.6% (2 of 55) of reports.

Danger

H314 (21.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 11 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 CategoriesSkin Corr. 1C (21.8%)

安全データ

F: 10-23
wgk: 3
ridadr: 3265
hs_code: 29161900
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36
hazard_class: 8
packing_group: III
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

応用分野 · 3 件

用途有機合成原料。

使用5-Hexynoic acid is used in the preparation of hex-5-ynoic acid methyl ester by using p-toluenesulfonic acid as a reagent. It is also involved in chemical synthesis.

一般的な説明5-Hexynoic acid is an alkynoic acid. It undergoes gold-catalyzed cyclization to form the corresponding methylene lactones.

上流・下流製品情報

下流製品

3-エトキシ-2-シクロヘキセン-1-オン 3-メトキシ-2-シクロヘキセン-1-オン 5-オキソヘキサン酸 2-Methyl-1H-indole-3-propanoic acid N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)hex-5-ynamide 3,5-dichlorobenzyl 4-(4-(1H-1,2,3-triazol-4-yl)butanamido)piperidine-1-carboxylate

サプライヤー100 社

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

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

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

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

補足説明

定義ChEBI: A hexynoic acid in which the triple bond is between the carbons at positions 5 and 6.

化合物ノート

読み込み中…

5-ヘキシン酸

基本情報

概要