Basic information
- CAS
18457-04-0- Standard SMILES
C[Si](C)(C)OC(=O)CC(=O)O[Si](C)(C)C- InChIKey
ATCKJLDGNXGLAO-UHFFFAOYSA-N- Molecular formula
- C9H20O4Si2
- Average molar mass
- 248.42 g/mol
- Monoisotopic mass
- 248.09001218
Names & identifiers
- Preferred name
- Bis(trimethylsilyl) malonate
- IUPAC
- bis(trimethylsilyl) propanedioate
- English name
- BIS(TRIMETHYLSILYL) MALONATE
- Molecular formula
- C9H20O4Si2
- Molecular weight
- 248.42
Names & synonyms
Bis(trimethylsilyl) malonate18457-04-0bis(trimethylsilyl) propanedioateEINECS 242-342-5KP4J43EVW8DTXSID30171590SILANOL, TRIMETHYL-, MALONATE (2:1)PROPANEDIOIC ACID, 1,3-BIS(TRIMETHYLSILYL) ESTERRefChem:569322DTXCID4094081242-342-5Malonic Acid Bis(trimethylsilyl) Ester
Show more names
Malonic acid (tms)Malonic acid, bis-TMSBis(trimethylsilyl) malonate,98%Bis(trimethylsilyl) Malonate >bis(trimethylsilyl) propanedioateBis(triMethylsilyl) Malonate, 98% 50GRMalonic acid, di(trimethylsilyl) estermalonic acid 1,3-bis(trimethylsilyl) ester
Propanedioic acid, bis(trimethylsilyl) esterBIS(TRIMETHYLSILYL)MALONATEMFCD00009631Malonic acid bis(trimethylsilyl ester)Malonic acid, bis(trimethylsilyl) esterBIS(TRIMETHYLSILYL) MALONATE?malonic acid bis(trimethylsilylester)BP-21139
Database identifiers
- CAS
18457-04-0- PubChem CID
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
Kovats Retention Index
1190；1201；1196；1197；1197；1200；1174；1198；1210.6；1161
1215；1217.8；1205；1216；1221；1211；1216；1216；1214
Physicochemical properties
- Melting point
- 56 °C · 56 °C
- Boiling point
- 63 · 63-66 °C/1 mmHg (lit.)
- Density
- 0.974 g/mL · 0.974 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.416(lit.)
- Flash point
- 75 °F · 75 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- pka
- 12.18 · 12.18±0.46(Predicted)
- color
- Clear colorless to straw
- Specific Gravity
- 0.97 · 0.97
- Hydrolytic Sensitivity
- 7 · 7: reacts slowly with moisture/water
- BRN
- 2212115 · 2212115
- InChI
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
Warning
H226 (100%): Flammable liquid and vapor [Warning 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 40 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- No
- ridadr
- UN 3272 3/PG 2
- hs_code
- 29319090
- risk_code
- 11
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- F
- safety_code
- 16
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
Chemistry & industry
Applications
UsesBis(trimethylsilyl) malonate was used as cyclocondensation agent in cyclocondensation reactions. It was also used in the preparation of β-keto acids and methyl ketones.
General DescriptionBis(trimethylsilyl) malonate is precursor for metal-organic chemical vapor deposition (MOCVD) of HfO2 and ZrO2 thin films. It undergoes acylation reaction with acid chlorides and acyl carbonates in the presence of triethylamine and magnesium or lithium salts to give β-keto acids or methyl ketones.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers87 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific
Related reactions
3 records
Compound notes
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