Basic information
- CAS
3968-85-2- Standard SMILES
CCC(C)Cc1ccccc1- InChIKey
IFDLFCDWOFLKEB-UHFFFAOYSA-N- Molecular formula
- C11H16
- Average molar mass
- 148.24 g/mol
- Monoisotopic mass
- 148.12520051
Names & identifiers
- Preferred name
- (2-Methylbutyl)benzene
- IUPAC
- 2-methylbutylbenzene
- English name
- (2-Methylbutyl)benzene
- Molecular formula
- C11H16
- Molecular weight
- 148.24
Names & synonyms
(2-Methylbutyl)benzene3968-85-21-Phenyl-2-methylbutaneBenzene, (2-methylbutyl)-2-Methyl-1-phenylbutaneButane, 2-methyl-1-phenyl-RefChem:206177IFDLFCDWOFLKEB-UHFFFAOYSA-N2-methylbutylbenzene40560-30-3(+)2-methylbutylbenzene(2-methyl-butyl)-benzene
Show more names
2-Benzylbutanebenzene,(2-methylbutyl)-butane,2-methyl-1-phenyl-
(+)-2-Methylbutylbenzene(+)-2-methylbutyl benzene(+)-beta-methylbutylbenzene4-(2'-methylbutyl)benzeneSCHEMBL199315SCHEMBL314557SCHEMBL523308SCHEMBL1071095
Database identifiers
- CAS
3968-85-2、40560-30-3- PubChem CID
- 107203
- DTXSID
DTXSID10871046- EC Number
- 689-398-0、693-038-8
- Nikkaji
- J103.235F
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
- 90.2
Physicochemical properties
- Melting point
- -44.72 °C · -44.72°C (estimate)
- Boiling point
- 197 °C · 197°C
- Density
- 0.855 · 0.8550
- refractive index
- 1.484 · 1.4840
- Henry's Law Constant
- 4 · 4.0×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
- Hazard statements
- 225 · H225
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Hazard information
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Skin Sens. 1 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- Hazard statements
- H225
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, [(2S)-2-methylbutyl]-: INACTIVE
Applications
Uses1-Phenyl-2-methylbutane, is shown to be one of the aromatic hydrocarbon products of depolymerization of scrap tire or nature rubber. It is also a volatile components of autolyzed yeast, used as food flavorant, identified by GC-MS.
Suppliers4 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
7 records
Compound notes
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