2,5-ジメチル-3-ヘキシン-2,5-ジオール

2,5-Dimethyl-3-hexyne-2,5-diol

HCID 8883CAS 142-30-3
部分構造検索類似構造を探す

基本情報

標準SMILES
CC(C)(O)C#CC(C)(C)O
InChIKey
IHJUECRFYCQBMW-UHFFFAOYSA-N
分子式
C8H14O2
平均分子量
142.2 g/mol
単同位体質量
142.09937969

名称と識別子

優先名称
2,5-Dimethyl-3-hexyne-2,5-diol
IUPAC
2,5-dimethylhex-3-yne-2,5-diol
現地名
2,5-ジメチル-3-ヘキシン-2,5-ジオール
英語名
2,5-Dimethyl-3-hexyne-2,5-diol
分子式
C8H14O2
分子量
142.2

名称と別名

2,5-DIMETHYL-3-HEXYNE-2,5-DIOL142-30-33-Hexyne-2,5-diol, 2,5-dimethyl-DimethylhexynediolKemitracin-50TetramethylbutynediolOlfine YAcetylenepinacolTetramethyl-2-butynediol2,5-Dimethylhexyne-2,5-diolNSC 117261DTXSID2027096
名称をさらに表示
2,5-ジメチル-3-ヘキシン-2,5-ジオール2,5-ジメチルヘキサ-3-イン-2,5-ジオール2,5-ジヒドロキシ-2,5-ジメチル-3-ヘキシン2,5‐ジメチル‐3‐ヘキシン‐2,5‐ジオール(2S)-6-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-4-メチルペンタンアミド]プロパンアミド]-5-カルバムイミドアミドペンタンアミド]-4-メチルペンタンアミド]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(6-アミノヘキシル)アミノ]-4-メチルペンタンアミド]プロパンアミド]-5-カルバムイミドアミドペンタンアミド]-4-メチルペンタンアミド]-N-[(1S)-1-{[(1S)-1-{[(1S)-4-カルバムイミドアミド-1-{[(1S)-1-カルバモイル-3-メチルブチル]カルバモイル}ブチル]カルバモイル}エチル]カルバモイル}-3-メチルブチル]ヘキサンアミドLeu-Ala-Arg-Leu-N6-(Leu-Ala-Arg-Leu-)-Lys-6-アミノ*ヘキシル-Leu-Ala-Arg-Leu-NH2HD-M2,5-dimethylhex-3-yne-2,5-diolDIMETHYL HEXYNEDIOLd43D 43olfineyHexadiindiol
HSDB 5639EINECS 205-533-42,5-DIHYDROXY-2,5-DIMETHYL-3-HEXYNENSC-117261AI3-1450022RR53U71WKEMITRACIN 50DTXCID807096

データベース識別子

CAS
142-30-3
PubChem CID
8883
DTXSID
DTXSID2027096
ChEMBL
CHEMBL3188902
UNII
22RR53U71W
EC Number
205-533-4
Nikkaji
J35.173C

物性

構造計算による物性

XLogP
0.1
極性表面積
40.5 Ų
水素結合供与体数
2
水素結合受容体数
2
回転可能結合数
2
重原子数
10

実験および物理化学的性質

Chemical ClassesOther Classes -> Other Organic Compounds
Density0.949 @ 20 °C/20 °C
Color/FormWHITE CRYSTALS
Solubility · 2 件

SOL IN WATER; VERY SOL IN ALCOHOL, ETHER, ACETONE; VERY SOL IN BENZENE; SOL IN CHLOROFORM

SLIGHTLY SOL IN CARBON TETRACHLORIDE, NAPHTHA; VERY SOL IN ETHYL ACETATE

Boiling Point205 °C @ 759 MM HG
Melting Point95 °C

物理化学的性質

融点
90 · 90-94 °C (lit.)
沸点
121 · 121-123 °C/7 mmHg (lit.)
比重(密度)
0 · 0,949 g/cm3
蒸気圧
0.025 hPa · 0.025 hPa (40.3 °C)
屈折率
1.4179 · 1.4179 (estimate)
闪点
102 °C · 102°C

化学的性質

化学的特性white to light yellow crystalline flakes or powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H317 (39.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P321, P333+P317, P337+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 175 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 5 件

Chemical: 3-Hexyne-2,5-diol, 2,5-dimethyl-

3-Hexyne-2,5-diol, 2,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Hexyne-2,5-diol, 2,5-dimethyl- 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)

SP - indicates a substance that is identified in a proposed Significant New Use Rule.

Status: Cease Manufacture Update: 05-08-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11608

2,5-Dimethyl-3-hexyne-2,5-diol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; May cause skin sensitization; [MSDSonline - Alfa Aesar]
Hazard Classes and CategoriesSkin Sens. 1 (39.4%)

毒性情報

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.

安全データ

wgk
3
tsca
TSCA listed
rtecs
MR0176000
hs_code
29053980
risk_code
42/43
化審法
(2)-270

化学と産業

用途と製造

Uses · 5 件

Used as a wire-drawing lubricant, antifoaming agent, coupling agent in resin coatings, and a chemical intermediate for fragrances and peroxide catalysts; [HSDB]

Painting (Pigments, Binders, and Biocides) [Category: Paint]

WIRE-DRAWING LUBRICANT; ANTIFOAMING AGENT; COUPLING AGENT IN RESIN COATINGS; CHEMICAL INTERMEDIATE

CHEM INT FOR FRAGRANCES & PEROXIDE CATALYSTS

SURFACE-ACTIVE AGENT & METAL TREATING CHEM-POSSIBLE USES

U.S. Exports · 2 件

(1979) No Data

(1981) No Data

U.S. Imports · 2 件

(1979) No Data

(1981) No Data

U.S. Production · 3 件

2023: 50,000 - <250,000 lb

(1979) No Data

(1981) No Data

Industry UsesIntermediate
Methods of ManufacturingREACTION OF ACETONE WITH ACETYLENE IN THE PRESENCE OF POTASSIUM HYDROXIDE
応用分野 · 1 件

説明2,5-Dimethyl-3-hexyne-2,5-diol is a white to yellowish powder or agglomerated alkyne compound commonly used in the manufacture of chemical products and preparations. It is used as a chemical intermediate in spices and peroxide catalysts, and as a drawing lubricant, defoamer, and coupling agent in resin coatings. In addition, it can also be applied as surfactant component and electroplating auxiliary.

上流・下流製品情報

上流原料

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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