3-bromodihydro-3-methylfuran-2(3H)-one
Basic information
- CAS
33693-67-3- Standard SMILES
CC1(Br)CCOC1=O- InChIKey
MXEVTHILFFSWOG-UHFFFAOYSA-N- Molecular formula
- C5H7BrO2
- Average molar mass
- 179.01 g/mol
- Monoisotopic mass
- 177.96294
Names & identifiers
- Preferred name
- 3-bromodihydro-3-methylfuran-2(3H)-one
- IUPAC
- 3-bromo-3-methyloxolan-2-one
- English name
- alpha-Bromo-alpha-methyl-gamma-butyrolactone
- Molecular formula
- C5H7BrO2
- Molecular weight
- 179.01
Names & synonyms
3-Bromodihydro-3-methylfuran-2(3H)-oneEINECS 251-639-93-Bromo-3-methyl-2-butyrolactoneDTXSID501301395NSC 238959RefChem:499333DTXCID201731488251-639-933693-67-33-bromo-3-methyloxolan-2-onealpha-Bromo-alpha-methyl-gamma-butyrolactone3-bromo-3-methyl-3,4,5-trihydrofuran-2-one
Show more names
LABOTEST-BB LT00160185α-Bromo-α-methyl-γ-butyrolactoneα-bromo-α-methyl-γ-butyrolactone3-Bromodihydro-3-methyl-2(3H)-furanone2(3H)-Furanone, 3-bromodihydro-3-methyl-3-Bromo-3-methyl-4,5-dihydro-2(3H)-furanone
3-bromo-3-methyldihydrofuran-2(3h)-oneNSC238959SCHEMBL1788143SBB057373AKOS015916376NSC-238959NS00060529ST50997714
Database identifiers
- CAS
33693-67-3- PubChem CID
- 99840
- DTXSID
DTXSID501301395- EC Number
- 251-639-9
- Nikkaji
- J308.521J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Boiling point
- 112 °C13 · 112 °C13 mm Hg(lit.)
- Density
- 1.581 g/mL · 1.581 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.494(lit.)
- Flash point
- 230 °F · >230 °F
- form
- liquid
- InChI
- 1S/C5H7BrO2/c1-5(6)2-3-8-4(5)7/h2-3H2,1H3
- InChIKey
- MXEVTHILFFSWOG-UHFFFAOYSA-N
- SMILES
- CC1(Br)CCOC1=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, 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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Usesα-Bromo-α-methyl-γ-butyrolactone is a lactone derivative. It has been reported to be hydrolyzed by paraoxonase/arylesterase (PON1), a purified rabbit serum.
General Descriptionα-Bromo-α-methyl-γ-butyrolactone is a lactone derivative. It has been reported to be hydrolyzed by paraoxonase/arylesterase (PON1), a purified rabbit serum.
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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