1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3R,6S)-rel-

HCID 6950374
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基本情報

CAS
13076-19-2
標準SMILES
C[C@@H]1OC(=O)[C@@H](C)OC1=O
InChIKey
JJTUDXZGHPGLLC-ZXZARUISSA-N
分子式
C6H8O4
平均分子量
144.12 g/mol
単同位体質量
144.04225874

名称と識別子

優先名称
1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3R,6S)-rel-
IUPAC
(3R,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione
英語名
1,4-Dioxane-2,5-dione,3,6-dimethyl-, (3R,6S)-
分子式
C6H8O4
分子量
144.13

名称と別名

13076-19-21,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3R,6S)-rel-RefChem:416906603-437-0meso-lactide(3R,6S)-3,6-dimethyl-1,4-dioxane-2,5-dionerel-(3R,6S)-3,6-Dimethyl-1,4-dioxane-2,5-dionetrans-Lactide(3R,6S)-3,6-Dimethyl-1,4-dioxane-2,5-dione; trans-3,6-Dimethyl-1,4-dioxane-2,5-dione; trans-3,6-Dimethyl-p-Dioxane-2,5-dione; trans-Lactidestarbld0041026SCHEMBL44996DTXSID80873991
名称をさらに表示
Lactic Acid Impurity 21,4-Dioxane-2,5-dione,3,6-dimethyl-, (3R,6S)-
NCGC00160356-01FL167435trans-3,6-Dimethyl-1,4-dioxane-2,5-dione

データベース識別子

CAS
13076-19-2
PubChem CID
6950374
DTXSID
DTXSID80873991
EC Number
603-437-0
Nikkaji
J703.681G

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

物理化学的性質

融点
52.8 °C · 52.8 °C
沸点
285.5 · 285.5±15.0 °C(Predicted)
比重(密度)
1.186 · 1.186±0.06 g/cm3(Predicted)
溶解性
Chloroform (Slightly),DMSO (Slightly), Ethyl Acetate (Slightly), Toluene (Slightly)
外見
Low-Melting Solid
色
White to Off-White

安全と法規制

GHS分類

GHS Classification · 4 件

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 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesEye Irrit. 2 (100%)

安全データ

tsca
TSCA listed
化審法
新規公示化学物質（2011年3月31日以前届出）

化学と産業

用途と製造

General Manufacturing Information1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3R,6S)-rel-: ACTIVE

応用分野

使用Impurity of poly lactic acid or lactic acid dimerization/epimerization. meso-Lactide can be polymerized using dibutyltin derivatives. meso-Lactide was also found to be formed during polylactide processing.

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