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

HCID 6950374
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
13076-19-2
Standard SMILES
C[C@@H]1OC(=O)[C@@H](C)OC1=O
InChIKey
JJTUDXZGHPGLLC-ZXZARUISSA-N
Molecular formula
C6H8O4
Average molar mass
144.12 g/mol
Monoisotopic mass
144.04225874

Names & identifiers

Preferred name
1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3R,6S)-rel-
IUPAC
(3R,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione
English name
1,4-Dioxane-2,5-dione,3,6-dimethyl-, (3R,6S)-
Molecular formula
C6H8O4
Molecular weight
144.13

Names & synonyms

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
Show more names
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

Database identifiers

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

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
10
Formal charge
0
Complexity
155

Physicochemical properties

Melting point
52.8 °C · 52.8 °C
Boiling point
285.5 · 285.5±15.0 °C(Predicted)
Density
1.186 · 1.186±0.06 g/cm3(Predicted)
solubility
Chloroform (Slightly),DMSO (Slightly), Ethyl Acetate (Slightly), Toluene (Slightly)
form
Low-Melting Solid
color
White to Off-White
Stability
Hygroscopic
EPA Substance Registry System
1 · 1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3R,6S)-rel- (13076-19-2)
TSCA
TSCA listed
REACH Registrations
Active

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

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.

Hazard information

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

Safety data

tsca
TSCA listed
REACH Registrations
Active

Chemistry & industry

Uses & manufacturing

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

Applications

UsesImpurity 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.

Suppliers15 total

艾吉析科技(上海)有限公司17717235263 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
深圳市优酯生物材料有限公司18138859716 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
湖北世腾化工科技有限公司18971850150 19086915685 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
R&D Scientific Inc.+1-2266000236 · [email protected]
成都标样生物科技有限公司

Related reactions

2 records
New reaction record
HRID 1188274 reaction equation
HRID 1188274As productuspto-grants-2014_03
HRID 1441124 reaction equation
HRID 1441124As reactantuspto-grants-1996_03

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
028-81700200 13308200041 · [email protected]
深圳市华信医药科技有限公司15671363360 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]