Basic information
- CAS
1196-58-3- Standard SMILES
CCC(CC)c1ccccc1- InChIKey
PBWHJRFXUPLZDS-UHFFFAOYSA-N- Molecular formula
- C11H16
- Average molar mass
- 148.24 g/mol
- Monoisotopic mass
- 148.12520051
Overview
(1-Ethylpropyl)benzene is an alkylbenzene.
Names & identifiers
- Preferred name
- 3-Phenylpentane
- IUPAC
- pentan-3-ylbenzene
- English name
- (1-Ethylpropyl)benzene
- Molecular formula
- C11H16
- Molecular weight
- 148.25
Names & synonyms
(1-Ethylpropyl)benzene1196-58-33-PHENYLPENTANEBenzene, (1-ethylpropyl)-pentan-3-ylbenzeneRX6MN973H3(3-AMYL)BENZENENSC 98354NSC-98354(1-ethyl-propyl)-benzeneRefChem:504965621-440-5
Show more names
benzene,(1-ethylpropyl)-ethylpropylbenzene(1-Ethylpropyl)benzene>(1-ETHYLPROPYL)BENZENE 99+%
1-ethylpropylbenzeneMFCD00048663(Pentan-3-yl)benzene3-phenyl-pentaneNSC98354(1-ethylpropyl)-benzeneBenzene, (1-ethylpropyl)- (8CI)(9CI)UNII-RX6MN973H3
Database identifiers
- CAS
1196-58-3- PubChem CID
- 14527
- DTXSID
DTXSID70152520- ChEBI
CHEBI:167085- UNII
- RX6MN973H3
- EC Number
- 621-440-5
- Nikkaji
- J95.690B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 86.2
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -44.72 °C · -44.72°C (estimate)
- Boiling point
- 191 °C · 191°C
- Density
- 0 · 0,86 g/cm3
- refractive index
- 1.487 · 1.4870-1.4890
- form
- clear liquid
- color
- Colorless to Light yellow
- Henry's Law Constant
- 4.3 · 4.3×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
- CAS DataBase Reference
- 1196 · 1196-58-3(CAS DataBase Reference)
- FDA UNII
- 6 MN973H3 · RX6MN973H3
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
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
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- ridadr
- 3295
- hs_code
- 2902.90.3050
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers33 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
Aladdin Scientific[email protected]
Related reactions
1 records
Compound notes
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