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2-Methylene-1,3-dioxepane

HCID 56080
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
69814-56-8
Standard SMILES
C=C1OCCCCO1
InChIKey
AVUFZLGLMCACRE-UHFFFAOYSA-N
Molecular formula
C6H10O2
Average molar mass
114.14 g/mol
Monoisotopic mass
114.06807956

Overview

structure in first source

Names & identifiers

Preferred name
2-Methylene-1,3-dioxepane
IUPAC
2-methylidene-1,3-dioxepane
English name
2-Methylene-1,3-dioxepane
Molecular formula
C6H10O2
Molecular weight
114.14

Names & synonyms

2-METHYLENE-1,3-DIOXEPANE69814-56-8DTXSID60275616RefChem:88309DTXCID10227044684-824-12-methylidene-1,3-dioxepane1,3-Dioxepane, 2-methylene-MFCD004671502-Methylene-[1,3]dioxepane83952-55-02-Methylene-13-dioxepane
Show more names
3-METHYLENE-1,3-DIOXEPANE2-Methylene-1,3-dioxepane?New2-Methylene-1,3-dioxepane (MDO)2-Methylene-4,5,6,7-tetrahydro-1,3-dioxepin
SCHEMBL6443152-Methylene-1,3-dioxepane 97%UCA81456AKOS006271679CS-W006464DS-8181DA-16612SY113299

Database identifiers

CAS
69814-56-8
PubChem CID
56080
DTXSID
DTXSID60275616
EC Number
684-824-1
Nikkaji
J138.634D

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
8
Formal charge
0
Complexity
78.5

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Boiling point
172.8 · 172.8±20.0 °C(Predicted)
Density
0.97 · 0.97±0.1 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
form
liquid
color
Clear, almost colourless
InChI
InChI=1S/C6H10O2/c1-6-7-4-2-3-5-8-6/h1-5H2
InChIKey
AVUFZLGLMCACRE-UHFFFAOYSA-N
SMILES
O1CCCCOC1=C
Symbol(GHS)
7 · GHS07,GHS09
Signal word
Warning
Hazard statements
317 · H317-H410
Precautionary statements
501 · P501-P261-P273-P272-P280-P302+P352-P391-P362+P364-P333+P313

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

Danger

H228 (92.9%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P280, and P370+P378 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Sol. 2 (92.9%)

Safety data

ridadr
1993
hs_code
2932990090
Signal word
Warning
Symbol(GHS)
GHS07,GHS09
hazard_class
3
packing_group
Ⅲ
Hazard statements
H317-H410
Precautionary statements
P501-P261-P273-P272-P280-P302+P352-P391-P362+P364-P333+P313

Chemistry & industry

Applications

Uses2-Methylene-1,3-dioxepane is used in the synthesis of functional 2-methylene-1,3-dioxepane terpolymer which functions as a building block for the construction of biodegradable pH sensitive polymeric prodrug for intracellular drug delivery.

Upstream & downstream products

Upstream raw materials

1,3-Dioxepane, 2-(chloromethyl)-2-ButanolWater2,6-DIMETHYLCYCLOHEXANOLToluene2-BROMOMETHYL-[1,3]DIOXEPANEPotassium hydroxide2-BUTANOL

Suppliers52 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南京哈柏医药科技有限公司13376080562 13376090521 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
RIDADR
1993 · 1993
HazardClass
3 · 3
PackingGroup
Ⅲ
HS Code
2932990090 · 2932990090
Aceschem Inc.+1-817863-6948 +1-(817)863-6948 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海不全生物科技有限公司15300610596 15300610596 · [email protected]
广东顺奥化学试剂有限公司19928586137 · [email protected]
合肥恩立医药科技有限公司0551-66399836 18955197623 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Shanghai Gubang New Materail Technology Co. LTD21-51317962 +86-18721305404 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
北京迈瑞达科技有限公司010-82387566 18001021521 · [email protected]
上海固帮新材料科技有限公司021-51317962 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
Aladdin Scientific[email protected]
湖北达豪化工有限公司027-59106191 13986034860 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
湖北奕化新材料科技有限公司17754433341 18086038039 · [email protected]
山东优阜药业科技有限公司536-8266195 +8613953676784 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Wuhan Han Sheng New Material Technology Co.,Ltd+86-17798174412 · [email protected]
河南科弘生物科技有限公司0371-55969461 18638736641 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
上海泰坦企业发展有限公司16621224781 · [email protected]
Additional notes · 1 item

Definition2-Methylene-1,3-dioxepane (MDO), which is also called cyclic ketene acetals (CKAs), can undergo radical addition on their carbon–carbon double bond, which then subsequently leads to propagation, either by ring opening or ring retaining or by a combination of both, which depends especially on their structure. This monomer provides a novel and alternative synthetic route for the synthesis of polycaprolactone, and it imparts degradability to conventional vinyl monomers by introducing ester linkages into the backbone. Thereby, the structure of the polyester material can be greatly expanded, and the polyester material can be applied to a wider range of fields. Its same repeat unit with poly(ε-caprolactone) (PCL). On the same time, the PCL synthesis through rROP offered new characteristic properties, such as totally amorphous instead of semicrystalline, versatile functionalization abilities by copolymerization with different vinyl monomers[1-2].