4,4-Dimethyl-1-hexene

HCID 137136CAS 1647-08-1

Substructure search Find similar structures

Basic information

Standard SMILES: C=CCC(C)(C)CC
InChIKey: SUJVAMIXNUAJEY-UHFFFAOYSA-N
Molecular formula: C8H16
Average molar mass: 112.21 g/mol
Monoisotopic mass: 112.12520051

Names & identifiers

Preferred name: 4,4-Dimethyl-1-hexene
IUPAC: 4,4-dimethylhex-1-ene
English name: 4,4-Dimethyl-1-hexene
Molecular formula: C8H16
Molecular weight: 112.21

Names & synonyms

4,4-Dimethyl-1-hexene1647-08-14,4-dimethylhex-1-ene1-Hexene, 4,4-dimethyl-DTXSID10167799RefChem:96354DTXCID1090290679-719-2InChI=1/C8H16/c1-5-7-8(3,4)6-2/h5H,1,6-7H2,2-4HSUJVAMIXNUAJEY-UHFFFAOYSA-NSCHEMBL140018SCHEMBL249929

Show more names

4,4-DIMETHYL-1-HEXENE 99%

SCHEMBL3174211SCHEMBL3546893MFCD00027039AKOS006230376DB-043598NS00125437

Database identifiers

CAS: 1647-08-1
PubChem CID: 137136
DTXSID: DTXSID10167799
EC Number: 679-719-2
Nikkaji: J150.907A

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 70.1

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: -103.01 °C · -103.01°C (estimate)
Boiling point: 107 °C · 107 °C
Density: 0.72 · 0.72
refractive index: 1.4078 · 1.4078
Flash point: 6 °C · 6 °C
Henry's Law Constant: 1.2 · 1.2×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
CAS DataBase Reference: 1647 · 1647-08-1(CAS DataBase Reference)
Symbol(GHS): 8 · GHS08,GHS02
Signal word: Danger
Hazard statements: 304 · H304-H225
Precautionary statements: 210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Risk Statements: 10 · 10
Safety Statements: 16 · 16
RIDADR: 1993 · 1993

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, 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 CategoriesFlam. Liq. 2 (100%)

Safety data

ridadr: 1993
risk_code: 10
Signal word: Danger
Symbol(GHS): GHS08,GHS02
safety_code: 16
Hazard statements: H304-H225
Precautionary statements: P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501