Basic information
- CAS
17171-74-3- Standard SMILES
CCCCc1cccc(CCCC)c1- InChIKey
BLZIWBDUMUJHOE-UHFFFAOYSA-N- Molecular formula
- C14H22
- Average molar mass
- 190.32 g/mol
- Monoisotopic mass
- 190.1721507
Names & identifiers
- Preferred name
- Benzene, m-dibutyl-
- IUPAC
- 1,3-dibutylbenzene
- English name
- 1,3-Dibutylbenzene
- Molecular formula
- C14H22
- Molecular weight
- 190.32
Names & synonyms
1,3-Dibutylbenzenem-DibutylbenzeneBenzene, m-dibutyl-MetadibutylbenzeneBenzene, 1,3-dibutyl-BRN 185805317171-74-3AI3-19933DTXSID201691484-05-00-01161 (Beilstein Handbook Reference)RefChem:323958Benzene, 1,3-dibutyl-(9CI)
Show more names
DTXCID60916391,3-dibutyl-benzene1,3-di-n-butylbenzeneSCHEMBL185419SCHEMBL298886SCHEMBL347126SCHEMBL677715SCHEMBL2828664
Database identifiers
- CAS
17171-74-3- PubChem CID
- 204985
- DTXSID
DTXSID20169148- EC Number
- 150-360-9
- Nikkaji
- J151.558F
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 75 · 75-76 °C(Press: 0.4 Torr)
- Density
- 0.8759 g/cm3 · 0.8759 g/cm3
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, 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 CategoriesEye Irrit. 2 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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