2-Methyl-1-(4-(methylthio)phenyl)-2-morpholino-1-propanone (HCID 92387)

概要

a photo-initiator

名称と識別子

優先名称: 2-Methyl-1-(4-(methylthio)phenyl)-2-morpholino-1-propanone
IUPAC: 2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one
現地名: 2-[4-(メチルチオ)ベンゾイル]-2-(4-モルホリニル)プロパン
英語名: 2-Methyl-4'-(methylthio)-2-morpholinopropiophenone
分子式: C15H21NO2S
分子量: 279.4

名称と別名

71868-10-52-Methyl-4'-(methylthio)-2-morpholinopropiophenoneCACCURE 907DTXSID8038857Irganox 907722CLJ6H6K1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-2-Methyl-1-(4-methylthiophenyl)-2-morpholinopropan-1-oneDTXCID60188572-Methyl-1-[4-(methylthio)phenyl]-2-morpholino-1-propanone1-Propanone, 2-methyl-1-(4-(methylthio)phenyl)-2-(4-morpholinyl)-IR-907

名称をさらに表示

2-(4-モルホリニル)-2-[4-(メチルチオ)ベンゾイル]プロパン2-メチル-1-[4-(メチルチオ)フェニル]-2-モルホリノ-1-プロパノン4'-(メチルチオ)-α-モルホリノ-α-メチルプロピオフェノンイルガキュア9071-[4-(メチルチオ)フェニル]2-モルホリノ-2-メチル-1-プロパノン1-[4-(メチルチオ)フェニル]-2-モルホリノ-2-メチル-1-プロパノン2-メチル-1-[4-(メチルチオ)フェニル]-2-モルホリノプロパン-1-オン1-[4-(メチルチオ)フェニル]-2-メチル-2-(モルホリン-4-イル)-1-プロパノン2-メチル-1-[4-(メチルチオ)フェニル]-2-(4-モルホリニル)-1-プロパノン2-モルホリノ-2-メチル-1-[4-(メチルチオ)フェニル]プロパン-1-オンα-モルホリノ-α-メチル-4'-(メチルチオ)プロピオフェノン2-モルホリノ-2-メチル-1-[4-(メチルチオ)フェニル]-1-プロパノン1-[4-(メチルチオ)フェニル]-2-メチル-2-モルホリノ-1-プロパノン4-[α,α-ジメチル-4-(メチルチオ)フェナシル]モルホリン4'-(メチルチオ)-α-メチル-α-(モルホリン-4-イル)プロピオフェノン4'-(メチルチオ)-α-メチル-α-モルホリノプロピオフェノン1-(4-メチルチオフェニル)-2-メチル-2-モルホリノ-1-プロパノンα-メチル-α-モルホリノ-4'-(メチルチオ)プロピオフェノン2-[4-(メチルチオ)ベンゾイル]-2-(4-モルホリニル)プロパン2メチル1（4メチルチオフェニル）2モルフォリノプロパン1オン907Irgacure 907MMMPOmnirad 907YF-PI 9072-methyl-1-(4-methylthio)2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-1-Propanone

2-Methyl-1-(4-(methylthio)phenyl)-2-morpholino-1-propanoneMTMP cpdMTMPPRefChem:475438400-600-6615-621-82-Methyl-1-(4-(methylthio)phenyl)-2-morpholinopropan-1-one2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one

データベース識別子

CAS: 71868-10-5
PubChem CID: 92387
DTXSID: DTXSID8038857
ChEMBL: CHEMBL1411716
UNII: 722CLJ6H6K
EC Number: 400-600-6、615-621-8
Nikkaji: J73.113G

物性

構造計算による物性

XLogP: 2.4
極性表面積: 54.8 Å²
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: 4
重原子数: 19
形式電荷: 0
複雑度: 305

実験および物理化学的性質

Drugs · 2 件

DEA NFLIS-Drug Category -> Synthetic Cathinones

Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds

LogP3.49

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionDry Powder; Large Crystals; Liquid

Collision Cross Section166.7 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8038857]

物理化学的性質

融点: 74 · 74-76 °C(lit.)
沸点: 210 °C/76mmHg · 210°C/76mmHg(lit.)
比重(密度): 1.15 · 1.15±0.1 g/cm3(Predicted)
蒸気圧: 0 Pa · 0Pa at 25℃
闪点: 165 ℃ · 165℃
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: 162 in · 162 in mg/100g standard fat at 20 ℃
外見: powder to crystal
酸解離定数(Pka): 4.77 · 4.77±0.10(Predicted)
色: White to Almost white
水溶解度: 17.9 mg/L · 17.9mg/L at 20℃
化粧品成分の機能: バインディング
InChI: 1S/C15H21NO2S/c1-15(2,16-8-10-18-11-9-16)14(17)12-4-6-13(19-3)7-5-12/h4-7H,8-11H2,1-3H3
InChIKey: LWRBVKNFOYUCNP-UHFFFAOYSA-N
SMILES: CSc1ccc(cc1)C(=O)C(C)(C)N2CCOCC2
LogP: 3.09 at · 3.09 at 25℃
CAS データベース: 71868 · 71868-10-5(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)- (71868-10-5)

化学的性質

化学的特性White powder

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 6 件

Chemical: 1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-

Hazard Traits - Reproductive Toxicity

1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)- 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.

Status: Active Update: 22-04-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/1574

Substance: 2-methyl-1-(4-methylthiophenyl)-2-morpholinopropan-1-one

Other Safety InformationEvaluation - 1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-

Hazard Classes and Categories · 5 件

Acute Tox. 4 (99.4%)

Acute Tox. 4 (100%)

Acute toxicity - category 4

Reproductive toxicity - Category 1B

Repr. 1B

安全データ

wgk: 2
tsca: TSCA listed
ridadr: UN 3077 9/PG 3
hs_code: 29349990
risk_code: 22-51/53
化審法: (5)-5819
hazard_code: Xn,N
safety_code: 22-61
hazard_class: 9
packing_group: III
Hazard Classifications: Acute Tox. 4 OralAquatic 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

U.S. Production2023: 50,000 - <250,000 lb

Consumer UsesPhotosensitive agent

Industry UsesNot Known or Reasonably Ascertainable

General Manufacturing Information · 2 件

Paint and Coating Manufacturing

1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-: ACTIVE

応用分野 · 3 件

用途光重合の開始剤、その他添加剤

用途有機合成原料。

使用Photoinitiator-907 is an efficient UV photoinitiator for initiating UV polymerization of unsaturated prepolymer systems.

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]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

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

2-[4-(メチルチオ)ベンゾイル]-2-(4-モルホリニル)プロパン

基本情報

概要