CAS 10287-53-3 Ethyl 4-(dimethylamino)benzoate (HCID 25127)

概要

Parbenate is a benzoate ester that is ethyl benzoate substituted by a dimethylamino group at position 4. It is an ethyl ester, a benzoate ester and a tertiary amino compound.

名称と識別子

優先名称: Ethyl 4-(dimethylamino)benzoate
IUPAC: ethyl 4-(dimethylamino)benzoate
現地名: 4-(ジメチルアミノ)安息香酸エチル
英語名: Ethyl 4-dimethylaminobenzoate
分子式: C11H15NO2
分子量: 193.24

名称と別名

Ethyl 4-dimethylaminobenzoate10287-53-3ParbenateEthyl 4-(dimethylamino)benzoateKayacure EPABenzoic acid, 4-(dimethylamino)-, ethyl esterGenocure EPDDarocur EBDDTXSID2044763p-Dimethylaminobenzoic acid ethyl ester829S8D3Y0XPL-EDB

名称をさらに表示

4-(ジメチルアミノ)安息香酸エチルスピードクレEDBパルベナートエチルp-(ジメチルアミノ)ベンゾアートクアンタクレDMBクアンタクレEPDダロクルEDBゲノクレEPDダロクレEDBp-(ジメチルアミノ)安息香酸エチル4-(N,N-ジメチルアミノ)安息香酸エチルN,N-ジメチルベンゾカインp-ジメチルアミノ安息香酸エチルp-(エトキシカルボニル)-N,N-ジメチルアニリンカヤクレEPA4-ジメチルアミノ安息香酸エチルエステルアミノ安息香酸エチルp-(N,N-ジメチル）4-ジメチルアミノ安息香酸エチルエチル＝４（ジメチルアミノ）ベンゾアトエチル＝4-（ジメチルアミノ）ベンゾアートEDBETHYL P-DIMETHYLAMINOBENZOATEp-DimethylaminobenzoatePI ED8PI-EDBAPi-EDB

DTXCID0024763CHEBI:520734-dimethylaminobenzoic acid ethyl esterRefChem:595408233-634-3N,N-DimethylbenzocaineEthyl-4-dimethylaminobenzoateSpeedcure EDB

データベース識別子

CAS: 10287-53-3
PubChem CID: 25127
DTXSID: DTXSID2044763
ChEMBL: CHEMBL3185245
ChEBI: CHEBI:52073
UNII: 829S8D3Y0X
EC Number: 233-634-3
Nikkaji: J92.469E

物性

構造計算による物性

XLogP: 2.9
極性表面積: 29.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 14
形式電荷: 0
複雑度: 184

実験および物理化学的性質

PolymersPlastics & Rubber -> Curing Agents (Aromatic)

CosmeticsPersonal care product

Physical Description · 2 件

Dry Powder; Other Solid; Large Crystals

White crystalline powder; [Acros Organics MSDS]

Collision Cross Section149.3 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2044763]

物理化学的性質

融点: 63 · 63-66 °C(lit.)
沸点: 190 · 190-191°C 14mm
比重(密度): 1.06 · 1.06
蒸気圧: 0.593 Pa · 0.593Pa at 25℃
屈折率: 1.508 · 1.5080 (estimate)
闪点: 190 · 190-191°C/14mm
貯蔵温度: 30 °C · Store below +30°C.
溶解性: クロロホルム、メタノール
外見: 結晶性粉末
酸解離定数(Pka): 2.56 · 2.56±0.12(Predicted)
色: 白色～淡黄色
水溶解度: 不溶性
BRN: 2210233 · 2210233
安定性: 安定。還元剤、酸化剤、塩基、酸とは相容れない。
化粧品成分の機能: フィルム形成光安定剤
InChI: 1S/C11H15NO2/c1-4-14-11(13)9-5-7-10(8-6-9)12(2)3/h5-8H,4H2,1-3H3
InChIKey: FZUGPQWGEGAKET-UHFFFAOYSA-N
SMILES: CCOC(=O)c1ccc(cc1)N(C)C
LogP: 3.2 at · 3.2 at 25℃
CAS データベース: 10287 · 10287-53-3(CAS DataBase Reference)
NISTの化学物質情報: 4 · Benzoic acid, 4-(dimethylamino)-, ethyl ester(10287-53-3)
EPAの化学物質情報: 4 · Benzoic acid, 4-(dimethylamino)-, ethyl ester (10287-53-3)

化学的性質

化学的特性white crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 55.6% (144 of 259) of all reports.

Danger

H360 (18.5%): May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 259 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Benzoic acid, 4-(dimethylamino)-, ethyl ester

Benzoic acid, 4-(dimethylamino)-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 4-(dimethylamino)-, ethyl ester 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)

Status: Active Update: 20-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/24038

Benzoic acid, 4-(dimethylamino)-, ethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryMay cause irritation; [Acros Organics MSDS]

Hazard Classes and CategoriesRepr. 1B (18.5%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29224995
risk_code: 36/37/38
化審法: (3)-3788
hazard_code: Xi
safety_code: 37/39-26
Hazard Classifications: Aquatic Chronic 2Repr. 1B
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

UsesUsed as a polymerization accelerator; [ChemIDplus]

U.S. Production2023: 75,000 - <100,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesNot Known or Reasonably Ascertainable

General Manufacturing Information · 2 件

Printing Ink Manufacturing

Benzoic acid, 4-(dimethylamino)-, ethyl ester: ACTIVE

応用分野 · 2 件

用途有機合成原料。

使用Ethyl 4-dimethylaminobenzoate is employed as a photoinititator in cell encapsulation applications. It is also useful for organic synthesis. Further, it is used in UV-curing coatings and inks for the initiation of photo polymerization of unsaturated prepolymers. In addition to this, it acts as a active pharmaceutical ingredient intermediate. It can also be used as a co-initiator with camphorquinone (CQ) to form a self-adhesive composite for the fabrication of photosensitizers in dental materials.

上流・下流製品情報

上流原料

1-Propanone, 1-[4-(methylamino)phenyl]-4-(メチルアミノ)安息香酸エチルエステル 4-ジメチルアミノ安息香酸しゅう酸ジエチルトリオキシメチレン 4-ブロモ-N,N-ジメチルアニリン 4-アミノ安息香酸エチルトリホスゲン 4-ジメチルアミノベンズアルデヒド

下流製品

4-(ジメチルアミノ)-α,α-ジフェニルベンゼンメタノール 2-[4-(dimethylamino)phenyl]propan-2-ol Ethyl 4-(dimethylamino)-3-nitrobenzoate

サプライヤー100 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]

河南赢创生物科技有限公司16650615803 · [email protected]

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

補足説明

定義本品は、次の化学式で表される芳香族化合物である。

定義ChEBI: A benzoate ester that is ethyl benzoate substituted by a dimethylamino group at position 4.

化合物ノート

読み込み中…

4-(ジメチルアミノ)安息香酸エチル

基本情報

概要