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Ketene dimethyl acetal

HCID 136706
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
922-69-0
Standard SMILES
C=C(OC)OC
InChIKey
FJTRNRFAIZEJJJ-UHFFFAOYSA-N
Molecular formula
C4H8O2
Average molar mass
88.11 g/mol
Monoisotopic mass
88.0524295

Names & identifiers

Preferred name
Ketene dimethyl acetal
IUPAC
1,1-dimethoxyethene
English name
1,1-Dimethoxyethene
Molecular formula
C4H8O2
Molecular weight
88.11

Names & synonyms

1,1-DimethoxyetheneKetene dimethyl acetalRefChem:794270685-071-1922-69-0Ethene, 1,1-dimethoxy-1,1-dimethoxyethylene1,1-dimethoxy-etheneketenacetalSCHEMBL538238SCHEMBL9427369DTXSID20238924
Show more names
MFCD00060982SY274566InChI=1/C4H8O2/c1-4(5-2)6-3/h1H2,2-3H

Database identifiers

CAS
922-69-0
PubChem CID
136706
DTXSID
DTXSID20238924
EC Number
685-071-1
Nikkaji
J121.045I

Properties

Computed structural properties

XLogP
1
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
6
Formal charge
0
Complexity
43.5

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Melting point
93 · 93-94 °C
Boiling point
89 °C · 89 °C
Density
0.93 g/mL · 0.93 g/mL at 20 °C
Flash point
6 °C · 6 °C
Symbol(GHS)
2 · GHS02
Signal word
Danger
Hazard statements
225 · H225
Precautionary statements
210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Hazard Codes
F,Xi
Risk Statements
11 · 11-36/37/38
Safety Statements
16 · 16-26
RIDADR
1993 · UN 1993 3/PG 2
WGK Germany
3 · 3

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

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

wgk
3
ridadr
UN 1993 3/PG 2
risk_code
11-36/37/38
Signal word
Danger
Symbol(GHS)
GHS02
hazard_code
F,Xi
safety_code
16-26
Hazard statements
H225
Precautionary statements
P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501

Chemistry & industry

Upstream & downstream products

Downstream products

Trimethyl orthoacetateMethyl 3-oxoheptanoate

Suppliers13 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
海蔚化学86-21-51086038 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
爆牛贸易重庆有限公司

Related reactions

5 records
New reaction record
HRID 404319 reaction equation
HRID 404319As reactantuspto-grants-2014_06
HRID 805760 reaction equation
HRID 805760As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 959804 reaction equation
HRID 959804As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1476125 reaction equation
HRID 1476125As reactantuspto-grants-2015_04
HRID 1545655 reaction equation
HRID 1545655As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
+86-023-6139-8061 +86-86-13650506873 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]