2,2-ジメトキシプロパン

2,2-Dimethoxypropane

HCID 6495CAS 77-76-9
部分構造検索類似構造を探す

基本情報

標準SMILES
COC(C)(C)OC
InChIKey
HEWZVZIVELJPQZ-UHFFFAOYSA-N
分子式
C5H12O2
平均分子量
104.15 g/mol
単同位体質量
104.08372962

名称と識別子

優先名称
2,2-Dimethoxypropane
IUPAC
2,2-dimethoxypropane
現地名
2,2-ジメトキシプロパン
英語名
2,2-Dimethoxypropane
分子式
C5H12O2
分子量
104.15

名称と別名

2,2-DIMETHOXYPROPANE77-76-9Acetone dimethyl acetalPropane, 2,2-dimethoxy-Acetone dimethyl ketalDTXSID7026441NSC-62085DTXCID00644166P41R0030RefChem:81029201-056-0Acetone, dimethyl acetal
名称をさらに表示
2,2-ジメトキシプロパンアセトンジメチルアセタール2，2，-ジメトキシプロパン2.2-ジメトキシプロパンジメトキシジメチルメタンDMP)2,2-DiMethoxyAcetone dimethyl acetal, DMPC.I. 777692,2-dimethoxy-propanDimolybdenum trioxide
acetone dimethylacetal2,2-dimethoxy-propaneGadobutrol Impurity 16MFCD00008479Acetone-dimethyl acetal2,2-DimethyoxypropaneEINECS 201-056-0NSC 62085

データベース識別子

CAS
77-76-9
PubChem CID
6495
DTXSID
DTXSID7026441
ChEMBL
CHEMBL3184215
UNII
66P41R0030
EC Number
201-056-0
Nikkaji
J35.930K

物性

構造計算による物性

XLogP
0.6
極性表面積
18.5 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
2
重原子数
7

実験および物理化学的性質

Density0.847 @25 °C
Boiling Point83 °C @760 [mm Hg]
Melting Point-47 °C
Physical DescriptionClear colorless liquid; [MSDSonline]
Kovats Retention Index · 2 件

638

615；616；620；627

物理化学的性質

融点
-47 °C · -47 °C
沸点
83 °C · 83 °C (lit.)
比重(密度)
0.847 g/mL · 0.847 g/mL at 25 °C (lit.)
蒸気密度
3.59 · 3.59 (vs air)
蒸気圧
60 mm · 60 mm Hg ( 15.8 °C)
屈折率
20 · n20/D 1.378(lit.)
化学的性質 · 1 件

化学的特性colourless liquid; B.P. 83℃. Ethereal odor. Soluble in alcohol, miscible with ess, oils and perfume chemicals. Stable when pure and at room temp. Decomposes into Acetone and Methanol during heating in presence of moisture or traces of mineral acid. Presumably not used in flavors. Rarely used in perfumes - for ethereal top-notes and "alcohol-like" effects. Produced synthetically via orthoformic ester or vinyl ether. Also from formiminomethyl-ether hydrochloride.

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 2.3% (5 of 222) of reports.

Danger

H225 (97.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (59%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (10.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 222 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 5 of 222 reports by companies.；There are 21 notifications provided by 217 of 222 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 3 件

Chemical: Propane, 2,2-dimethoxy-

Status: Active Update: 28-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7384；Status: Active Update: 24-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/15899

2,2-Dimethoxypropane: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn eye irritant; [eChemPortal: ERMA] An irritant; [MSDSonline]
Peroxide Forming Chemical · 4 件

2,2-Dimethoxypropane

D*: Other compounds that may form peroxides

2 samples had 3-10 ppm peroxide; age >1 yrs

Management of time-sensitive chemicals (JCHAS)

Hazard Classes and CategoriesFlam. Liq. 2 (97.7%)；Skin Irrit. 2 (59%)；Eye Irrit. 2A (97.3%)；STOT SE 3 (10.4%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

2.8 [ppm]

31 [ppm]

190 [ppm]

法規制情報

Regulatory Information · 3 件

Chemical: Propane, 2,2-dimethoxy-

Status: Active Update: 28-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7384；Status: Active Update: 24-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/15899

2,2-Dimethoxypropane: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F
10-21
wgk
2
tsca
TSCA listed
ridadr
UN 1993 3/PG 2
毒性
LD50 orally in Rabbit: > 2260 mg/kg LD50 dermal Rat > 2100 mg/kg
hs_code
29110000

化学と産業

用途と製造

UsesDehydrating agent in electron microscopy specimen preparation. [ChemIDplus]
General Manufacturing InformationPropane, 2,2-dimethoxy-: ACTIVE
応用分野 · 4 件

用途有機合成原料。

用途2,2-ジメトキシプロパン (2,2-dimethoxypropane)、別名 アセトンジメチルアセタール (acetone dimethyl acetal) は、有機化合物のひとつ。DMP と略される。アセトンとメタノールが縮合したアセタールに相当する。メチル化剤、アセトニド化剤、アセタール合成のための脱水縮合剤として用いられる。 DMPは2-メトキシプロペン合成の中間体として現れる。組織学では、DMP は動物組織の脱水にあたりエタノールよりも有効と考えられている。

使用2,2-Dimethoxypropane(DMP) is used in histology and considered to be more efficient than ethanol for the dehydration of animal tissue.

一般的な説明2,2-Dimethoxypropane is an organic compound, which may be used as a protecting agent in the process of the synthesis of structurally related alkaloids like narciclasine and lycoricidine using phenylbromide as the starting material.

上流・下流製品情報

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