2-Methyl-2-phenyloxirane
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Basic information
- CAS
2085-88-3- Standard SMILES
CC1(c2ccccc2)CO1- InChIKey
MRXPNWXSFCODDY-UHFFFAOYSA-N- Molecular formula
- C9H10O
- Average molar mass
- 134.17 g/mol
- Monoisotopic mass
- 134.07316494
Names & identifiers
- Preferred name
- 2-Methyl-2-phenyloxirane
- IUPAC
- 2-methyl-2-phenyloxirane
- English name
- 2-PHENYLPROPYLENE OXIDE
- Molecular formula
- C9H10O
- Molecular weight
- 134.18
Names & synonyms
2-METHYL-2-PHENYLOXIRANEalpha-Methylstyrene oxideRefChem:475187800-256-02085-88-32-Phenylpropylene OxideOxirane, 2-methyl-2-phenyl-2-Phenyl-1,2-epoxypropane2-Phenylpropene oxide1-Methyl-1-phenyloxiranePropylene oxide, 2-phenyl-alpha,beta-Epoxycumene
Show more names
Cumene,α,β-epoxy-α-Methylstyreneoxide2-phenylpropeneoxidephenylpropyleneoxideA-METHYLSTYRENE OXIDEα-Methylstyrene Oxideα-Methylstyreneepoxidealpha,beta-epoxy-cumen
MFCD00059156alpha-Methyl styrene oxide2-methyl-2-phenyl-oxirane1,2-Epoxy-2-phenylpropaneNSC 36616.alpha.-Methylstyrene epoxideBenzene, (1,2-epoxy-1-methylethyl)-CCRIS 2731
Database identifiers
- CAS
2085-88-3- PubChem CID
- 16398
- DTXSID
DTXSID10880779- EC Number
- 800-256-0
- Nikkaji
- J951B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 82 °C · 82 °C / 14mmHg
- Density
- 1 · 1,02 g/cm3
- refractive index
- 1.518 to · 1.5180 to 1.5220
- Flash point
- 68 °C · 68°C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- clear liquid
- color
- Colorless to Light yellow
- CAS DataBase Reference
- 2085 · 2085-88-3
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 335 · H335-H319-H315-H340
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (50%)
Safety data
- rtecs
- RR0532400
- hs_code
- 2932990090
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- safety_code
- 26-36/37/39
- Hazard statements
- H335-H319-H315-H340
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Usesα-Methylstyrene Oxide is structurally similar to rac Styrene Oxide (S687795) which is a major (toxic) metabolite of Styrene (S687790), catalyzed by epoxide hydrolase.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
6 records
Compound notes
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