Basic information
- CAS
20278-89-1- Standard SMILES
CCC(C)C(C)C(C)CC- InChIKey
LJIIBBYARMPSMT-UHFFFAOYSA-N- Molecular formula
- C10H22
- Average molar mass
- 142.28 g/mol
- Monoisotopic mass
- 142.1721507
Names & identifiers
- Preferred name
- 3,4,5-Trimethylheptane
- IUPAC
- 3,4,5-trimethylheptane
- English name
- 3,4,5-TRIMETHYL HEPTANE
- Molecular formula
- C10H22
- Molecular weight
- 142.28
Names & synonyms
3,4,5-TrimethylheptaneHeptane, 3,4,5-trimethyl-DTXSID40871312RefChem:90946DTXCID80818983813-804-9LJIIBBYARMPSMT-UHFFFAOYSA-N20278-89-13,4,5-Trimethyl heptaneSCHEMBL598937SCHEMBL4652989SCHEMBL5984610
Show more names
3,4,5-trimethyl-heptanheptane,3,4,5-trimethyl-3,4,5-Trimethylheptane in isooctane
SCHEMBL9793411SCHEMBL10496907SCHEMBL15170495LMFA11000688MFCD00048650NS00076506Q5651902
Database identifiers
- CAS
20278-89-1- PubChem CID
- 89304
- DTXSID
DTXSID40871312- EC Number
- 813-804-9
- Nikkaji
- J422.061G
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 66.1
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -53.99 °C · -53.99°C
- Boiling point
- 162.51 °C · 162.51°C
- Density
- 0.752 · 0.7520
- refractive index
- 1.4206 · 1.4206
- form
- liquid
- color
- Colourless
- Henry's Law Constant
- 9.4 · 9.4×10-7 mol/(m3Pa) at 25℃, Yaws (2003)
- EPA Substance Registry System
- 3 · Heptane, 3,4,5-trimethyl- (20278-89-1)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H302+H312+H332-H315-H319-H335
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
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2932209090
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi,F
- Hazard statements
- H226-H302+H312+H332-H315-H319-H335
- Precautionary statements
- P210-P241-P280
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHeptane, 3,4,5-trimethyl-: INACTIVE
Suppliers3 total
BOC Sciences+1-631-485-4226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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