Basic information
- CAS
4706-90-5- Standard SMILES
Cc1cc(C)cc(C(C)C)c1- InChIKey
RMKJTYPFCFNTGQ-UHFFFAOYSA-N- Molecular formula
- C11H16
- Average molar mass
- 148.24 g/mol
- Monoisotopic mass
- 148.12520051
Names & identifiers
- Preferred name
- 5-Isopropyl-m-xylene
- IUPAC
- 1,3-dimethyl-5-propan-2-ylbenzene
- English name
- 5-ISOPROPYL-M-XYLENE
- Molecular formula
- C11H16
- Molecular weight
- 148.24
Names & synonyms
5-Isopropyl-m-xylene4706-90-53,5-Dimethylcumene1,3-Dimethyl-5-isopropylbenzenePH3462VF2X5-Isopropyl-meta-xyleneNSC 89744NSC-89744UNII-PH3462VF2X3,5-DIMETHYL-1-ISOPROPYLBENZENEDTXSID60635671,3-DIMETHYL-5-(1-METHYLETHYL)BENZENE
Show more names
cumene,3,5-dimethyl-5-Isopropyl-m-xylene>5-ISOPROPYL-M-XYLENE 80+%5-Isopropyl-m-xylene (~85%)3,5-DIMETHYLISOPROPYLBENZENE
1,3-Dimethyl-5-(1-methylethyl)-benzeneRefChem:102987DTXCID1040530630-583-2RMKJTYPFCFNTGQ-UHFFFAOYSA-N1-Isopropyl-3,5-dimethylbenzeneCumene, 3,5-dimethyl-1,3-dimethyl-5-propan-2-ylbenzene
Database identifiers
- CAS
4706-90-5- PubChem CID
- 20833
- DTXSID
DTXSID6063567- UNII
- PH3462VF2X
- EC Number
- 630-583-2
- Nikkaji
- J103.232A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 105
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -44.72 °C · -44.72°C (estimate)
- Boiling point
- 195 °C · 195 °C
- Density
- 0.86 · 0.86
- refractive index
- 1.494 to · 1.4940 to 1.4970
- storage temp.
- Room Temperature, under inert atmosphere
- solubility
- Chloroform
- form
- Oil
- color
- Colourless
- Henry's Law Constant
- 9.2 · 9.2×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
- FDA UNII
- 3462 VF2X · PH3462VF2X
- EPA Substance Registry System
- 1 · 1,3-Dimethyl-5-isopropylbenzene (4706-90-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
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 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 (97.5%)
Safety data
- ridadr
- UN 3295 3/PG III
- hs_code
- 2902.90.3050
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H227
- Precautionary statements
- P501-P210-P280-P370+P378-P403+P235
Related reactions
2 records
Compound notes
Loading…