3-Methoxy-3-methylbutyl acetate
Basic information
- CAS
103429-90-9- Standard SMILES
COC(C)(C)CCOC(C)=O- InChIKey
RYNQKSJRFHJZTK-UHFFFAOYSA-N- Molecular formula
- C8H16O3
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.10994437
Names & identifiers
- Preferred name
- 3-Methoxy-3-methylbutyl acetate
- IUPAC
- (3-methoxy-3-methylbutyl) acetate
- English name
- 3-Methoxy-3-methylbutyl acetate
- Molecular formula
- C8H16O3
- Molecular weight
- 160.21
Names & synonyms
3-Methoxy-3-methylbutyl Acetate103429-90-93-Methyl-3-methoxybutyl acetate1-Butanol, 3-methoxy-3-methyl-, acetateAcetic Acid 3-Methoxy-3-methylbutyl EsterQHL9392RSYDTXSID30145852EC 700-408-53-methoxy-3-methyl-1-butyl acetate1-Butanol, 3-methoxy-3-methyl-, 1-acetateRefChem:503102DTXCID2068343
Show more names
MMB-AC3-Methoxyisobutyl acetate3-Methyl-3-methoxybutyl=acetate3-Methoxy-3-methylbutyl Acetate >1-Butanol, 3-methoxy-3-methyl-, 1-acetate
700-408-5(3-methoxy-3-methylbutyl) acetateMFCD000593401-Butanol,3-methoxy-3-methyl-, 1-acetateUNII-QHL9392RSYSCHEMBL55735RYNQKSJRFHJZTK-UHFFFAOYSA-N(3-methoxy-3-methyl-butyl) acetate
Database identifiers
- CAS
103429-90-9- PubChem CID
- 62308
- DTXSID
DTXSID30145852- UNII
- QHL9392RSY
- EC Number
- 700-408-5
- Nikkaji
- J42.267C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 74 °C · 74 °C / 15mmHg
- Density
- 0 · 0,96 g/cm3
- vapor pressure
- 2.58 · 2.58-21.3hPa at 25-60℃
- refractive index
- 1.417 · 1.4170-1.4200
- Flash point
- 73 °C · 73°C
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- Specific Gravity
- 0.96 · 0.960
- color
- Colourless
- LogP
- 1.6 at · 1.6 at 25℃ and pH7
- Surface tension
- 65.5 mN/m · 65.5mN/m at 1g/L and 20℃
- FDA UNII
- 9392 RSY · QHL9392RSY
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H312
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
This chemical does not meet GHS hazard criteria for 98.1% (157 of 160) of all reports.
Not Classified
Aggregated GHS information provided per 160 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 3-Methoxy-3-methylbutyl acetate (EC: 700-408-5)
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- hs_code
- 2915.39.9000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H227-H312
- REACH Registrations
- Active
- Precautionary statements
- P210-P280-P302+P352+P312+P362+P364-P370+P378-P403+P235-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Butanol, 3-methoxy-3-methyl-, 1-acetate: ACTIVE
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Related reactions
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Compound notes
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