Basic information
- CAS
1077-16-3- Standard SMILES
CCCCCCc1ccccc1- InChIKey
LTEQMZWBSYACLV-UHFFFAOYSA-N- Molecular formula
- C12H18
- Average molar mass
- 162.27 g/mol
- Monoisotopic mass
- 162.14085058
Overview
Hexylbenzene is a member of benzenes.
Names & identifiers
- Preferred name
- Hexylbenzene
- IUPAC
- hexylbenzene
- English name
- 1-Phenylhexane
- Molecular formula
- C12H18
- Molecular weight
- 162.27132
Names & synonyms
Hexylbenzene1-Phenylhexane1077-16-3N-HEXYLBENZENEBenzene, hexyl-Hexane, 1-phenyl-8E3D1A2BZPNSC-86141DTXSID8061476RefChem:146361DTXCID0033091214-070-7
Show more names
MFCD000095261-hexylbenzeneHexylbenzene, 97%6-PHENYLHEXANEEINECS 214-070-7CHEBI:88569BAA07716NSC86141
Database identifiers
- CAS
1077-16-3- PubChem CID
- 14109
- DTXSID
DTXSID8061476- ChEBI
CHEBI:88569- UNII
- 8E3D1A2BZP
- EC Number
- 214-070-7
- Nikkaji
- J45.916J
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 90.2
Experimental & physicochemical properties
SolventsSolvents -> Aromatic Solvents
SpringerMaterials PropertiesBoiling point
LogP5.24
Vapor Pressure0.12 [mmHg]
Physical DescriptionClear colorless liquid; [MSDSonline]
Physicochemical properties
- Melting point
- -61 °C · -61 °C
- Boiling point
- 226.1 °C · 226.1 °C
- Density
- 0.852 g/cm3 · 0.852 g/cm3(Temp: 19 °C)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H400
- Precautionary statements
- 273 · P273-P302+P352-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 6.2% (3 of 48) of reports.
Warning
H315 (93.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryMay cause irritation; [MSDSonline]
DOT Hazard Classification
n-Hexylbenzene
Marine pollutant
Hazard Classes and CategoriesSkin Irrit. 2 (93.8%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H315-H319-H335-H400
- Precautionary statements
- P273-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, hexyl-: ACTIVE
Suppliers100 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
清宁生物（江苏博泉生物科技有限公司）19352250998 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Related reactions
13 records
Compound notes
Loading…