Basic information
- CAS
7154-80-5- Standard SMILES
CCC(C)CC(C)(C)CC- InChIKey
VRVRZZWPKABUOE-UHFFFAOYSA-N- Molecular formula
- C10H22
- Average molar mass
- 142.28 g/mol
- Monoisotopic mass
- 142.1721507
Overview
3,3,5-trimethylheptane is an alkane.
Names & identifiers
- Preferred name
- 3,3,5-Trimethylheptane
- IUPAC
- 3,3,5-trimethylheptane
- English name
- 3,3,5-TRIMETHYLHEPTANE
- Molecular formula
- C10H22
- Molecular weight
- 142.28
Names & synonyms
3,3,5-TRIMETHYLHEPTANE7154-80-5Heptane, 3,3,5-trimethyl-NSC 73981RefChem:90758Heptane, 3,3,5trimethylHeptane, 3,3,5-trimethyl-(8CI)Heptane, 3,3,5-trimethyl-(8CI)(9CI)813-802-8VRVRZZWPKABUOE-UHFFFAOYSA-NNSC739813,5-Trimethylheptane
Show more names
heptane,3,3,5-trimethyl-3,3,5-Trimethylheptane in isooctane
Heptane,3,5-trimethyl-SCHEMBL598372SCHEMBL1133677SCHEMBL1971314SCHEMBL2771607SCHEMBL5696263SCHEMBL5986071SCHEMBL7637228
Database identifiers
- CAS
7154-80-5- PubChem CID
- 23544
- DTXSID
DTXSID90871185- ChEBI
CHEBI:88584- EC Number
- 813-802-8
- Nikkaji
- J120.997C
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 82
Experimental & physicochemical properties
SolventsSolvents -> Aliphatics, Saturated (<C12)
Physicochemical properties
- Melting point
- -108.15 °C · -108.15°C
- Boiling point
- 155.7 °C · 155.7°C
- Density
- 0.739 · 0.7390
- refractive index
- 1.4147 · 1.4147
- form
- liquid
- color
- Colourless
- Henry's Law Constant
- 9.9 · 9.9×10-7 mol/(m3Pa) at 25℃, Yaws (2003)
- EPA Substance Registry System
- 3 · Heptane, 3,3,5-trimethyl- (7154-80-5)
- Symbol(GHS)
- 2 · GHS02,GHS08
- Signal word
- Danger
- Hazard statements
- 226 · H226-H304
- Precautionary statements
- 210 · P210-P260-P280
- Hazard Codes
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, 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
Hazards SummaryOverexposure may cause skin and eye irritation; May have anesthetic effects (drowsiness, dizziness, and headache); [ChemSampCo MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- hs_code
- 2932209090
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08
- hazard_code
- Xi,F
- Hazard statements
- H226-H304
- Precautionary statements
- P210-P260-P280
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: 3,3,5-Trimethylheptane is an alkane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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