Basic information
- CAS
504-44-9- Standard SMILES
CC(C)CCCC(C)CCCCC(C)CCCC(C)C- InChIKey
KKFZXXATNGJPJS-UHFFFAOYSA-N- Molecular formula
- C20H42
- Average molar mass
- 282.5 g/mol
- Monoisotopic mass
- 282.32865134
Overview
crocetane has been reported in Streptomyces with data available.
Names & identifiers
- Preferred name
- Crocetane
- IUPAC
- 2,6,11,15-tetramethylhexadecane
- English name
- 2,6,11,15-TETRAMETHYLHEXADECANE
- Molecular formula
- C20H42
- Molecular weight
- 282.55
Names & synonyms
2,6,11,15-TetramethylhexadecaneCrocetane504-44-9DTXSID80964656RefChem:128502DTXCID701392348690-074-6Hexadecane, 2,6,11,15-tetramethyl-S747NXV5QKSCHEMBL29857252,6,11,15-tetramethyl-hexadecaneDB-051777
Show more names
hexadecane,2,6,11,15-tetramethyl-Hexadecane,2,6,11,15-tetrymethyl-2,6,11,15-Tetramethylhexadecane in isooctane
Database identifiers
- CAS
504-44-9- PubChem CID
- 136331
- DTXSID
DTXSID80964656- UNII
- S747NXV5QK
- EC Number
- 690-074-6
- Nikkaji
- J1.510.791J
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 13
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 170
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 171.8 · 171.8-172.6 °C(Press: 11 Torr)
- Density
- 0.7853 g/cm3 · 0.7853 g/cm3(Temp: 45 °C)
- EPA Substance Registry System
- 2 · Hexadecane, 2,6,11,15-tetramethyl- (504-44-9)
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
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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