基本情報
- CAS
7443-25-6- 標準SMILES
COC(=O)C(=Cc1ccc(OC)cc1)C(=O)OC- InChIKey
JMFYZMAVUHNCPW-UHFFFAOYSA-N- 分子式
- C13H14O5
- 平均分子量
- 250.25 g/mol
- 単同位体質量
- 250.08412355
名称と識別子
- 優先名称
- Dimethyl (p-methoxybenzylidene)malonate
- IUPAC
- dimethyl 2-[(4-methoxyphenyl)methylidene]propanedioate
- 現地名
- p-メトキシベンジリデンマロン酸ジメチルエステル
- 英語名
- dimethyl (p-methoxybenzylidene)malonate
- 分子式
- C13H14O5
- 分子量
- 250.25
名称と別名
7443-25-6Dimethyl (p-methoxybenzylidene)malonatePropanedioic acid, [(4-methoxyphenyl)methylene]-, dimethyl esterdimethyl 4-methoxybenzylidenemalonateSANDUVOR PR 25VXO4D73WEHDTXSID5042328EINECS 231-185-8NSC 306435NSC-306435Malonic acid, (p-methoxybenzylidene)-, dimethyl esterPropanedioic acid, ((4-methoxyphenyl)methylene)-, dimethyl ester
名称をさらに表示
p-メトキシベンジリデンマロン酸ジメチルエステル2-(4-メトキシベンジリデン)マロン酸ジメチル1,3-ジメチル 2-[(4-メトキシフェニル)メチリデン]プロパンジオアート(4-メトキシベンジリデン)マロン酸ジメチル2-(4-メトキシベンジリデン)プロパン二酸ジメチル4-メトキシベンジリデンマロン酸ジメチルUV-1988UV41UV PR-25PR 25HRstab-1988HOSTAVINPR-25Hostavin BRE 25Cyasorb UV 1988
Propanedioic acid, 2-((4-methoxyphenyl)methylene)-, 1,3-dimethyl ester((4-METHOXYPHENYL)METHYLENE)MALONIC ACID DIMETHYL ESTERPropanedioic acid, 2-[(4-methoxyphenyl)methylene]-, 1,3-dimethyl esterRefChem:588099DTXCID3022328Malonic acid, (p-methoxybenzylidene)-, dimethyl ester (8CI)231-185-8Dimethyl 2-(4-Methoxybenzylidene)Malonate
データベース識別子
- CAS
7443-25-6- PubChem CID
- 100478
- DTXSID
DTXSID5042328- ChEMBL
CHEMBL2148174- UNII
- VXO4D73WEH
- EC Number
- 231-185-8
- Nikkaji
- J76.672K
物性
構造計算による物性
- XLogP
- 2.5
- 極性表面積
- 61.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 6
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 308
物理化学的性質
- 融点
- 56 · 56-57℃
- 沸点
- 144 · 144-145 °C(Press: 0.17 Torr)
- 比重(密度)
- 1.187 · 1.187
- 蒸気圧
- 0 Pa · 0Pa at 20℃
- 貯蔵温度
- 2 · Storage temp. 2-8°C
- 溶解性
- soluble in Methanol
- 外見
- powder to crystal
- 色
- White to Almost white
- 水溶解度
- 91 mg/L · 91mg/L at 20℃
- InChI
- InChI=1S/C13H14O5/c1-16-10-6-4-9(5-7-10)8-11(12(14)17-2)13(15)18-3/h4-8H,1-3H3
- InChIKey
- JMFYZMAVUHNCPW-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)/C(=C\C1=CC=C(OC)C=C1)/C(OC)=O
- LogP
- 2.4 at · 2.4 at 20℃
- EPAの化学物質情報
- Propanedioic acid, [(4-methoxyphenyl)methylene]-, dimethyl ester (7443-25-6)
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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Status: Active Update: 29-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/25520
Dimethyl (p-methoxybenzylidene)malonate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Irrit. 2 (100%)
安全データ
- tsca
- TSCA listed
- hs_code
- 2918.99.4700
- 化審法
- (3)-3106
化学と産業
用途と製造
General Manufacturing InformationPropanedioic acid, 2-[(4-methoxyphenyl)methylene]-, 1,3-dimethyl ester: ACTIVE
応用分野
説明Dimethyl (p-methoxybenzylidene)malonate (UV absorber PR25; Dimethyl 4-methoxy benzylidene malonate; Dimethyl 2-(4-methoxybenzylidene)malonate) is an unique UV absorber with excellent absorbtion especially in the UVB-range. It is colourless and, even in high concentration in the resin, does not lead to any discolouration and will not form coloured complexes with metal ions as many other UV absorbers do. Dimethyl (p-methoxybenzylidene)malonate can be used in solvent-borne coatings and general industrial coatings, particularly recommended for UV-cured systems and clear coats where colour neutrality is essential. It is recommended for use in PVC, polyesters, PC, polyamides, styrene plastics, EVA copolymers, and cellulosics, particular in Rigid PVC materials.
使用Dimethyl 4-methoxybenzylidene malonate is an organic carboxylic acid ester, mainly used as an ultraviolet absorber.
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