4-Methoxybutan-2-one-dimethylacetal
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Basic information
- CAS
6607-66-5- Standard SMILES
COCCC(C)(OC)OC- InChIKey
DIQSNTFKLAYVOT-UHFFFAOYSA-N- Molecular formula
- C7H16O3
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.10994437
Names & identifiers
- Preferred name
- 4-Methoxybutan-2-one-dimethylacetal
- IUPAC
- 1,3,3-trimethoxybutane
- English name
- 1,3,3-TRIMETHOXYBUTANE
- Molecular formula
- C7H16O3
- Molecular weight
- 148.2
Names & synonyms
1,3,3-Trimethoxybutane6607-66-54-Methoxybutan-2-one-dimethylacetalEINECS 229-555-9DTXSID30216273RefChem:524759DTXCID30138764229-555-9Butane, 1,3,3-trimethoxy-2,2,4-Trimethoxybutan1,3,3-trimethoxy butaneLSR464P76K
Show more names
3,3-Trimethoxybutane1,3,3-TriMethoxybutane 97%4-METHOXY-2-BUTANONE DIMETHYL ACETAL
SCHEMBL58923411,3,3-Trimethoxybutane, 97%AR-1D0994AKOS009156873DB-073704NS00047037F0991702,2'-[oxybis(methanediylbenzene-3,1-diyl)]diethanol
Database identifiers
- CAS
6607-66-5- PubChem CID
- 81084
- DTXSID
DTXSID30216273- UNII
- LSR464P76K
- EC Number
- 229-555-9
- Nikkaji
- J225.215E
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 78.9
Physicochemical properties
- Boiling point
- 61 · 61-63 °C/20 mmHg (lit.)
- Density
- 0.94 g/mL · 0.94 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.41(lit.)
- Flash point
- 114 °F · 114 °F
- form
- liquid
- InChI
- 1S/C7H16O3/c1-7(9-3,10-4)5-6-8-2/h5-6H2,1-4H3
- InChIKey
- DIQSNTFKLAYVOT-UHFFFAOYSA-N
- SMILES
- COCCC(C)(OC)OC
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 210 · P210-P233-P235-P240-P241-P242-P243-P280-P305+P351+P338-P370+P378-P403+P235
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3271 3/PG 3
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P210-P233-P235-P240-P241-P242-P243-P280-P305+P351+P338-P370+P378-P403+P235
Chemistry & industry
Applications
Uses1,3,3-Trimethoxybutane may be used in chemical synthesis studies.
Related reactions
7 records
Compound notes
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