Basic information
- CAS
1459-09-2- Standard SMILES
CCCCCCCCCCCCCCCCc1ccccc1- InChIKey
DEQLTFPCJRGSHW-UHFFFAOYSA-N- Molecular formula
- C22H38
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.29735121
Names & identifiers
- Preferred name
- Hexadecylbenzene
- IUPAC
- hexadecylbenzene
- English name
- Hexadecylbenzene
- Molecular formula
- C22H38
- Molecular weight
- 302.54
Names & synonyms
Hexadecylbenzene1-PhenylhexadecaneBenzene, hexadecyl-N-HEXADECYLBENZENEPhenyl hexadecaneHexadecane, 1-phenyl-Hexadecane, 1(or 16)-phenyl-UNII-39HL93NE0R39HL93NE0REINECS 215-949-8DTXSID4061707RefChem:145987
Show more names
hexadecyl-benzenbenzene,hexadecyl-Hexadecylbenzene>Hexadecylbenzene,98%
DTXCID8034748215-949-8DEQLTFPCJRGSHW-UHFFFAOYSA-N1459-09-2CetylbenzeneMFCD00039871SCHEMBL175633SCHEMBL258639
Database identifiers
- CAS
1459-09-2- PubChem CID
- 15085
- DTXSID
DTXSID4061707- UNII
- 39HL93NE0R
- EC Number
- 215-949-8
- Nikkaji
- J104.089H
Properties
Computed structural properties
- XLogP
- 10.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 15
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 27 °C · 27 °C(lit.)
- Boiling point
- 172 °C1 · 172 °C1 mm Hg(lit.)
- Density
- 0.855 g/mL · 0.855 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.481
- Flash point
- 25 °C · 25 °C
- form
- powder to lump to clear liquid
- color
- White or Colorless to Almost white or Almost colorless
- CAS DataBase Reference
- 1459 · 1459-09-2(CAS DataBase Reference)
- FDA UNII
- 39 HL93NE0R · 39HL93NE0R
- EPA Substance Registry System
- Hexadecylbenzene (1459-09-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2902.90.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, hexadecyl-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers41 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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