Basic information
- CAS
2388-14-9- Standard SMILES
C=C(C)c1ccc(C(C)C)cc1- InChIKey
XMCNZCCURGYSDQ-UHFFFAOYSA-N- Molecular formula
- C12H16
- Average molar mass
- 160.25 g/mol
- Monoisotopic mass
- 160.12520051
Overview
1-(1-Methylethenyl)-4-(1-methylethyl)benzene is a monoterpenoid.
Names & identifiers
- Preferred name
- p-Isopropyl-alpha-methylstyrene
- IUPAC
- 1-propan-2-yl-4-prop-1-en-2-ylbenzene
- English name
- p-isopropyl-alpha-methylstyrene
- Molecular formula
- C12H16
- Molecular weight
- 160.26
Names & synonyms
2388-14-9p-Isopropyl-alpha-methylstyrene1-(1-Methylethenyl)-4-(1-methylethyl)benzeneEINECS 219-218-4DTXSID90178580NSC 93801RefChem:858097DTXCID50101071219-218-41-ISOPROPYL-4-(PROP-1-EN-2-YL)BENZENE1-(prop-1-en-2-yl)-4-(propan-2-yl)benzene1-propan-2-yl-4-prop-1-en-2-ylbenzene
Show more names
p-isopropyl-α-methylstyrenep-Isopropenylcumene
Styrene, p-isopropyl-.alpha.-methyl-p-Isopropenylisopropylbenzenep-IsopropylisopropenylbenzeneBenzene, 1-(1-methylethenyl)-4-(1-methylethyl)-2-(p-Isopropylphenyl)propenep-Isopropyl-.alpha.-methylstyrene.alpha.-Methyl-4-isopropylstyrene4-Isopropyl-.alpha.-methylstyrene
Database identifiers
- CAS
2388-14-9- PubChem CID
- 16952
- DTXSID
DTXSID90178580- ChEBI
CHEBI:88571- EC Number
- 219-218-4
- Nikkaji
- J24.279I
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -30.6 °C · -30.6°C
- Boiling point
- 221.18 °C · 221.18°C (estimate)
- Density
- 0.8936 · 0.8936
- refractive index
- 1.5238 · 1.5238
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers7 total
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Additional notes
DefinitionChEBI: 1-(1-Methylethenyl)-4-(1-methylethyl)benzene is a monoterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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