基本情報
- 標準SMILES
CC1OC(=O)C(C)OC1=O- InChIKey
JJTUDXZGHPGLLC-UHFFFAOYSA-N- 分子式
- C6H8O4
- 平均分子量
- 144.12 g/mol
- 単同位体質量
- 144.04225874
概要
Lactide is a member of dioxanes.
名称と識別子
- 優先名称
- Lactide
- IUPAC
- 3,6-dimethyl-1,4-dioxane-2,5-dione
- 現地名
- DL-ラクチド
- 英語名
- DL-Lactide
- 分子式
- C6H8O4
- 分子量
- 144.13
名称と別名
名称をさらに表示
データベース識別子
- CAS
33135-50-1、95-96-5- PubChem CID
- 7272
- DTXSID
DTXSID7041253- ChEMBL
CHEMBL3185272- ChEBI
CHEBI:177651- UNII
- 7EH08MWO6M
- EC Number
- 202-468-3、608-832-1
- Nikkaji
- J4.715E
物性
構造計算による物性
- XLogP
- 0.6
- 極性表面積
- 52.6 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
- 0
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 155
実験および物理化学的性質
Physical Description
CBI
Solid; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- 116 · 116-119 °C
- 沸点
- 142 °C8 · 142 °C8 mm Hg(lit.)
- 比重(密度)
- 1.186 · 1.186±0.06 g/cm3(Predicted)
- 蒸気圧
- 0.311 Pa · 0.311Pa at 25℃
- 闪点
- 180 °C · 180°C
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- クロロホルム、メタノールに可溶。ベンゼンにわずかに溶ける。
- 外見
- 結晶性粉末
- 色
- 白い
- 水溶解度
- 16.3 g/L · 16.3g/L at 20℃
- BRN
- 82121 · 82121
- 化粧品成分の機能
- 研磨剤スキンコンディショニング
- InChI
- 1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3
- InChIKey
- JJTUDXZGHPGLLC-UHFFFAOYSA-N
- SMILES
- CC1OC(=O)C(C)OC1=O
- LogP
- 0.4 at · 0.4 at 25℃
- NISTの化学物質情報
- 1 · 1,4-Dioxane-2,5-dione, 3,6-dimethyl-(95-96-5)
- EPAの化学物質情報
- 1 · 1,4-Dioxane-2,5-dione, 3,6-dimethyl- (95-96-5)
化学的性質
化学的特性White crystalline powder
安全と法規制
GHS分類
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 158 reports by companies from 6 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
1,4-Dioxane-2,5-dione, 3,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Dioxane-2,5-dione, 3,6-dimethyl- 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: 13-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15774
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- JH1100000
- hs_code
- 29322090
- risk_code
- 36/37/38-36
- 化審法
- (5)-5295
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard Classifications
- Eye Irrit. 2
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
General Manufacturing Information
Plastics Product Manufacturing
1,4-Dioxane-2,5-dione, 3,6-dimethyl-: ACTIVE
応用分野
使用DL-Lactide is used to produce 2-hydroxy-propionic acid 1-(1-phenyl-ethoxycarbonyl)-ethyl ester. It acts as an important raw material and an intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyes. It is involved in enzymatic alcoholysis to produce both alkyl (R)-lactates and alkyl (S,S)-lactyllactates.
一般的な説明3,6-Dimethyl-1,4-dioxane-2,5-dione (or rac-lactide), is the 50:50 racemic mixture of D- and L-Lactide. Rac-lactide is a lactone derived from lactic acid that has attracted great interest in academia and commercial applications, as it is derived from abundant renewable resources. Rac-lactide can be ready polymerized via ring-opening polymerization, using a variety of metal or organocatalysts, yielding poly(D,L-lactide). While the resulting polymer is generally amorphous, the use of stereospecific catalysts can lead to heterotactic PLA, which exhibits some degree of crystallinity.
上流・下流製品情報
下流製品
サプライヤー50 社
補足説明
定義本品は、次の化学式で表される有機化合物である。
関連反応
関連ノート
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