(~2~H_32_)Pentadecane
Basic information
- CAS
36340-20-2- Standard SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]- InChIKey
YCOZIPAWZNQLMR-UBTWNIDWSA-N- Molecular formula
- C15H32
- Average molar mass
- 244.61 g/mol
- Monoisotopic mass
- 244.45125689
Names & identifiers
- Preferred name
- (~2~H_32_)Pentadecane
- IUPAC
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-dotriacontadeuteriopentadecane
- English name
- n-Pentadecane-d32
- Molecular formula
- C15D32
- Molecular weight
- 244.61
Names & synonyms
36340-20-2(~2~H_32_)PentadecaneDTXSID50584062RefChem:211376DTXCID70534827N-Pentadecane-d32Pentadecane-d321,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-dotriacontadeuteriopentadecaneN-Pentadecane (D32, 98%)DEUTERATED PENTADECANEorb3139006SCHEMBL30534425
Show more names
Pentadecane-d??n-Pentacosane-D32??-Pentadecane (D??, 98%)PENTADECANE-D32, 98 ATOM % Dn-Pentadecane-d32 in isooctanePentadecane-d32 98 atom % D, 98% (CP)
HY-N7926STMID-1218AS-88710CS-0542322D98388Pentadecane-d32, 98 atom % D, 98% (CP)
Database identifiers
- CAS
36340-20-2- PubChem CID
- 16213601
- DTXSID
DTXSID50584062
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 12
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 84.2
Physicochemical properties
- Melting point
- 8 · 8-10 °C (lit.)
- Boiling point
- 270 °C · 270 °C (lit.)
- Density
- 0.883 g/mL · 0.883 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.432(lit.)
- Flash point
- 132 ℃ · 132℃
- InChI
- 1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2
- InChIKey
- YCOZIPAWZNQLMR-UBTWNIDWSA-N
- UNSPSC Code
- 12352002 · 12352002
- NACRES
- 12 · NA.12
- CAS Number Unlabeled
- 629 · 629-62-9
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 304 · H304
- Precautionary statements
- 301 · P301+P310-P331-P405-P501
- WGK Germany
- 3 · 3
- Storage Class
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
Danger
H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P301+P316, P331, P405, 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 CategoriesAsp. Tox. 1 (100%)
Safety data
- wgk
- 3
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H304
- Hazard Classifications
- Asp. Tox. 1
- Precautionary statements
- P301+P310-P331-P405-P501
Chemistry & industry
Applications
UsesPentadecane-d32 is the deuterium labeled Pentadecane[1].
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
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Compound notes
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