CAS 105-29-3 1-Pentol (HCID 6435822)

基本情報

CAS: 105-29-3
標準SMILES: C#C/C(C)=C\CO
InChIKey: ZSJHASYJQIRSLE-XQRVVYSFSA-N
分子式: C6H8O
平均分子量: 96.13 g/mol
単同位体質量: 96.05751488

名称と識別子

優先名称: 1-Pentol
IUPAC: (Z)-3-methylpent-2-en-4-yn-1-ol
現地名: 3-メチル-2-ペンテン-4-イン-1-オール
英語名: 3-Methyl-2-penten-4-yn-1-ol
分子式: C6H8O
分子量: 96.13

名称と別名

(Z)-3-Methylpent-2-en-4-yn-1-ol6153-05-51-Pentol cis-form1-Pentol, (Z)-C3L27C7DKP(2Z)-3-Methyl-2-penten-4-yn-1-ol1-PentolEINECS 203-284-6UN27051'-PENTOL1-PENTOL CIS FORMUSK803U25I

名称をさらに表示

3-メチル-2-ペンテン-4-イン-1-オール1-ペントール3-Methylpenten-2-in-4-ol-13-methyl-2-penten-4-yn-1-o3-methylpent-2-en-4-yn-1-ol3-Methyl-2-penten-4-yn-1-ol2-Penten-4-yn-1-ol,3-methyl-1-Hydroxy-3-methyl-2-penten-4-yne

CIS-3-METHYL-2-PENTENE-4-YN-1-OLDTXSID201334886EINECS 228-168-22-Penten-4-yn-1-ol, 3-methyl-, (2Z)-CIS-3-METHYL-2-PENTEN-4-YN-1-OLEC 228-168-22-PENTEN-4-YN-1-OL, 3-METHYL-, (Z)-3Methylpent2en4yn1ol

データベース識別子

CAS: 105-29-3、6153-05-5
PubChem CID: 6435822
DTXSID: DTXSID201334886
UNII: C3L27C7DKP
EC Number: 228-168-2
Nikkaji: J211.420H

物性

構造計算による物性

XLogP: 0.9
極性表面積: 20.2 Å²
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: 2
重原子数: 7
形式電荷: 0
複雑度: 113

実験および物理化学的性質

Chemical ClassesCorrosives

PolymersOther Classes -> Alcohols and Polyols, Other

Physical DescriptionYellow to orange liquid with a turpene-like odor; [GSBL]

物理化学的性質

融点: 25 °C · 25°C
沸点: 144.66 °C · 144.66°C (rough estimate)
比重(密度): 0.9253 · 0.9253 (estimate)
屈折率: 1.446 · 1.4460 (estimate)
酸解離定数(Pka): 14.22 · 14.22±0.10(Predicted)
EPAの化学物質情報: 2 · 2-Penten-4-yn-1-ol, 3-methyl- (105-29-3)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (50%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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

Status: Active Update: 22-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10321

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Fire Hazards· Combustible material: may burn but does not ignite readily.

Health Hazards· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.

Hazards Summary1-Pentol (UN2705) has warning of explosive polymerization. [ERG 2016] See 3-Methyl-1-pentyn-3-ol and 2-Methyl-3-butyn-2-ol.

DOT ID and Guide2705 153P

DOT Hazard Classification · 4 件

1-Pentol

UN2705

Class 8 Corrosive material (49 eCFR § 173.136)

PG II: the degree of danger presented by the material is medium

化学と産業

応用分野 · 1 件

説明3-Methyl-2-penten-4-yn-1-ol, also known as C6 alcohol or 3-methylpent-2-en-4-yn-1-ol, is a derivative of methyl vinyl ketone and acetylene. (Z)-3-Methyl-2-penten-4-yn-1-ol is a pharmaceutical intermediate for the production of vitamin A. Its stereoisomer, (Z)-3-methyl-2-penten-4-yn-1-ol, is also a useful intermediate for the manufacture of astaxanthin, zeaxanthin and further carotenoids.

上流・下流製品情報

上流原料

サプライヤー8 社

湖北成丰化工有限公司13125175253 · [email protected]

南通合润生物科技有限公司18362409333 · [email protected]

上海出澄贸易有限公司021-5983532 15201998618 · [email protected]

厦门盈融达化工有限公司+86-0592-6210733 · [email protected]

上海宝杨宝欣生物科技有限公司021-56698539 19921169802 · [email protected]

化合物ノート

読み込み中…

3-メチル-2-ペンテン-4-イン-1-オール