ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
化工社オープンプロジェクト:[email protected]AIアクセス:llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.7.9
  1. ホーム
  2. /化合物

N-[2-(3,5-ジメトキシフェニル)-2-(2-メチルフェニル)エチル]アデノシン

Dipropylene glycol methyl ether acetate

HCID 9815489
ノートを作成反応を作成見積依頼を出す印刷プレビュー
基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
212484-39-4
標準SMILES
COCC(C)OCC(C)OC(C)=O
InChIKey
LAVARTIQQDZFNT-UHFFFAOYSA-N
分子式
C9H18O4
平均分子量
190.24 g/mol
単同位体質量
190.12050905

名称と識別子

優先名称
Dipropylene glycol methyl ether acetate
IUPAC
1-(1-methoxypropan-2-yloxy)propan-2-yl acetate
現地名
N-[2-(3,5-ジメトキシフェニル)-2-(2-メチルフェニル)エチル]アデノシン
英語名
Di(propylene glycol) methyl ether acetate
分子式
C9H18O4
分子量
190.24

名称と別名

88917-22-0PPG-2 methyl ether acetatedipropylene glycol methyl ether acetateDowanol DPMA5455FZE9RBPropanol, 1(or 2)-(2-methoxymethylethoxy)-, acetateRefChem:1083816406-880-6618-219-0Dipropyleneglycol methyl ether acetate1-(1-methoxypropan-2-yloxy)propan-2-yl AcetateNIOSH/UB7875850
名称をさらに表示
N-[2-(2-メチルフェニル)-2-(3,5-ジメトキシフェニル)エチル]アデノシンN-[2-(3,5-ジメトキシフェニル)-2-(o-トリル)エチル]アデノシンN-[2-(3,5-ジメトキシフェニル)-2-(2-メチルフェニル)エチル]アデノシン【官報に公示された名称】 2-(2-メトキシ-1-メチルエトキシ)-1-メチルエチル=アセタートを主成分とする2-(2-メトキシ-1-メチルエトキシ)-1-メチルエチル=アセタート、2-(2-メトキシ-1-メチルエトキシ)-2-プロピル=アセタート、2-(2-メトキシプロポキシ)-1-メチルエチル=アセタート及び2-(2-メトキシプロポキシ)プロピル=アセタートの混合物 ※経済産業省のホームページにおいて、平成26年1月17日付けで官報公示名称の誤りを訂正した名称が公表されています。ジプロピレングリコールメチルエーテルアセタートジ(プロピレングリコール) メチルエーテルアセタート、異性体混合物2-(3-メトキシプロポキシ)プロピルアセタートメチル-2-[2-メトキシ(メチル)エトキシ]エチル=アセタートジプロピレングリコールモノメチルエーテルアセタート酢酸1-メチル-2-(1-メチル-2-メトキシエトキシ)エチル酢酸2-(2-メトキシ-1-メチルエトキシ)-1-メチルエチル1-[(1-メトキシプロパン-2-イル)オキシ]プロパン-2-イル アセタート酢酸=1-メチル-2-(1-メチル-2-メトキシエトキシ)エチル酢酸1,4-ジメチル-3,6-ジオキサヘプタン-1-イルDPMA(2R,3R,4S,5R)-2-(6-{[2-(3,5-ジメトキシフェニル)-2-(2-メチルフェニル)エチル]アミノ}-9H-プリン-9-イル)-5-(ヒドロキシメチル)オキソラン-3,4-ジオールDPMA

データベース識別子

CAS
212484-39-4、88917-22-0
PubChem CID
9815489
DTXSID
DTXSID40858784
ChEMBL
CHEMBL1255792
UNII
5455FZE9RB
EC Number
406-880-6、618-219-0
Nikkaji
J1.013.198G

物性

構造計算による物性

XLogP
0.7
極性表面積
44.8 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
7
重原子数
13
形式電荷
0
複雑度
147

実験および物理化学的性質

SolventsSolvents -> Glycol Ethers (P Series)
CosmeticsCosmetic ingredients (PPG-2 Methyl Ether Acetate) -> CIR (Cosmetic Ingredient Review)
FragrancesFragrance Ingredient (Propanol, 1(or 2)-(2-methoxymethylethoxy)-, acetate) -> IFRA transparency List
LogP · 2 件

0.803

0.8

Density · 2 件

0.98 g/cm³

Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.00

Viscosity1.7 mm²/s at 25 °C
SolubilitySolubility in water, g/100ml: 16 (good)
Flash Point86 °C
Boiling Point209 °C
Melting Point-25.5 °C
Vapor DensityRelative vapor density (air = 1): 6.56
Vapor Pressure · 2 件

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 17.9% (78 of 435) of reports.

Warning

H302 (40.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 435 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 32.5% (119 of 366) of reports.

危険有害性情報

Regulatory Information · 5 件

Chemical: Propanol, 1(or 2)-(2-methoxymethylethoxy)-, acetate

Propanol, 1(or 2)-(2-methoxymethylethoxy)-, acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanol, 1(or 2)-(2-methoxymethylethoxy)-, acetate 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

REACH registered substance: A mixture of RR and RS isomers of: (2-(2-methoxy-1-methyl)ethoxy)-1-methylethyl acetate; (2-(2-methoxy-2-methyl)ethoxy)-1-methylethyl acetate; (2-(2-methoxy-2-methyl)ethoxy)-2-methylethyl acetate; (2-(2-methoxy-1-methyl)ethoxy)-2-methylethyl acetate (EC: 406-880-6)

Propanol, 1(or 2)-(2-methoxymethylethoxy)-, acetate: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsCombustible. Above 86 °C explosive vapour/air mixtures may be formed.
Hazards Summary · 1 件

Commercial product is a mixture of up to 4 isomers due to the position of the internal ether being linked to either the primary or secondary carbon atoms; Category members demonstrate LOAELs of 1,000 mg/kg/day (highest tested dose) in 13-week oral studies of rats for increased liver and kidney weight without corresponding histopathology; No hematotoxicity observed; Eye and nasal mucosa irritation and increased liver weights, some with corresponding histopathology, in 2-week inhalation studies of rats; [OECD SIDS: Propylene Glycol Ethers - 2003]

化学と産業

用途と製造

Uses · 3 件

CIR ingredient: PPG-2 Methyl Ether Acetate

Used as an active and tailing solvent in coatings and a solvent in silkscreen printing inks; [OECD SIDS: Propylene Glycol Ethers - 2003]

Painting (Solvents) [Category: Paint]

U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesFragrance
Industry UsesNot Known or Reasonably Ascertainable
Household ProductsInformation on 26 consumer products that contain PPG-2 Methyl Ether Acetate
 in the following categories is provided:
Use Classification · 3 件

EPA Safer Chemical Functional Use Classes -> Solvents

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

Fragrance Ingredients

General Manufacturing Information · 2 件

Printing Ink Manufacturing

Propanol, 1(or 2)-(2-methoxymethylethoxy)-, acetate: ACTIVE

応用分野 · 3 件

用途溶媒活性コーティング、シルクスクリーン印刷インキの溶媒、塗料中の溶剤テーリング

使用Di(propylene glycol) methyl ether acetate is a solvent, it is also used as a formula stabilizer and to improve skin penetration in topically applied acne preparations containing erythromycin.

一般的な説明Di(propylene glycol) methyl ether acetate (DPMA, 3-(3-methoxypropoxy)propyl acetate) is extensively employed as a solvent in coatings and silkscreening inks. It is also used as a cleaning agent. In vivo, DPMA rapidly hydrolyzes to dipropylene glycol methyl ether (DPM), thus, the in vivo effects of DPMA are expected to be the same as those of DPM.

サプライヤー

読み込み中…

公開中の見積依頼

読み込み中…

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

このページの内容基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
dipropyleneglycolmonomethyletheracetate
PD-125944
Arcosolv DPMA
DOWANOL(R) DPMA
DOWANOL(TM) DPMA
ARCOSOLV(R) DPMA
Di methyl ether acetate
UB787585001-((1-Methoxypropan-2-yl)oxy)propan-2-yl acetate1-[(1-Methoxypropan-2-yl)oxy]propan-2-yl acetate1-(2-Methoxy-1-methylethoxy)-2-propanol acetate (ester)2-Propanol, 1-(2-methoxy-1-methylethoxy)-, acetate (ester)UNII-5455FZE9RBSCHEMBL145638CHEMBL1255792

0.12 [mmHg]

Vapor pressure, Pa at 25 °C: 17

物理化学的性質

沸点
200 °C · 200 °C(lit.)
比重(密度)
0.97 g/mL · 0.97 g/mL at 25 °C(lit.)
蒸気圧
10.4 Pa · 10.4Pa at 20℃
屈折率
20 · n20/D 1.417(lit.)
闪点
186 °F · 186 °F
溶解性
750 g/L · 750g/L in organic solvents at 20 ℃
外見
liquid
水溶解度
183 g/L · 183g/L at 20℃
化粧品成分の機能
溶媒
InChI
InChI=1S/C9H18O4/c1-7(5-11-4)12-6-8(2)13-9(3)10/h7-8H,5-6H2,1-4H3
InChIKey
LAVARTIQQDZFNT-UHFFFAOYSA-N
SMILES
C(C(C)OC(=O)C)OC(C)COC
LogP
0.61 at · 0.61 at 20℃
CAS データベース
88917 · 88917-22-0(CAS DataBase Reference)
EPAの化学物質情報
1 · Propanol, 1(or 2)-(2-methoxymethylethoxy)-, acetate (88917-22-0)

化学的性質

化学的特性Di(propylene glycol) methyl ether acetate is colorless liquid

EPA Safer ChemicalChemical: Propanol 1 (or 2)-2-methoxymethyl ethoxy, acetate
Chemical DangersReacts with strong acids and strong oxidants.
Hazard Classes and Categories · 3 件

Acute Tox. 4 (49.2%)

Acute Tox. 4 (40.7%)

Flammable liquids - Category 4

Explosive Limits and PotentialExplosive limits , vol% in air: 1.21-5.35

安全と保護具

Fire FightingUse water spray, dry powder, alcohol-resistant foam, carbon dioxide.
First Aid Measures · 3 件

Fresh air, rest.

Rinse skin with plenty of water or shower.

Rinse mouth. Do NOT induce vomiting.

Safe StorageSeparated from strong acids and strong oxidants.
Spillage DisposalPersonal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Ventilation. Collect leaking liquid in sealable containers. Wash away spilled liquid with plenty of water.
Eye PreventionWear safety goggles.
Fire PreventionNO open flames. Above 86 °C use a closed system and ventilation.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
Skin PreventionProtective gloves.
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse ventilation.
Effects of Short Term ExposureIf swallowed the substance may cause vomiting and could result in aspiration pneumonitis.

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Toxicity DataLC50 (rat) > 5,700 mg/m3

安全データ

wgk
3
tsca
TSCA listed
ridadr
NA 1993 / PGIII
hs_code
29153900
risk_code
36/37/38
化審法
新規公示化学物質(2011年3月31日以前届出)
hazard_code
Xi
safety_code
26-36
ストレージクラス
10 - Combustible liquids