CAS 15870-10-7 2-Methyl-1-heptene (HCID 27519)

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Basic information

CAS: 15870-10-7
Standard SMILES: C=C(C)CCCCC
InChIKey: RCBGGJURENJHKV-UHFFFAOYSA-N
Molecular formula: C8H16
Average molar mass: 112.21 g/mol
Monoisotopic mass: 112.12520051

Names & identifiers

Preferred name: 2-Methyl-1-heptene
IUPAC: 2-methylhept-1-ene
English name: 2-Methyl-1-heptene
Molecular formula: C8H16
Molecular weight: 112.21

Names & synonyms

2-METHYL-1-HEPTENE2-Methylhept-1-ene1-Heptene, 2-methyl-950L7O6RJAEINECS 239-993-2NSC 73949NSC-73949UNII-950L7O6RJADTXSID0074009RCBGGJURENJHKV-UHFFFAOYSA-RefChem:879921-Heptene, 2-methyl-(8CI)

Show more names

2-Methyl-1-heptene>2-METHYL-1-HEPTENE 98+%2-Methyl-1-heptene in methanol2-METHYL-1-HEPTENE ISO 9001：2015 REACH

DTXCID60351061-Heptene, 2-methyl-(8CI)(9CI)InChI=1/C8H16/c1-4-5-6-7-8(2)3/h2,4-7H2,1,3H3RCBGGJURENJHKV-UHFFFAOYSA-N15870-10-7MFCD000095172-methyl-hept-1-eneNSC73949

Database identifiers

CAS: 15870-10-7
PubChem CID: 27519
DTXSID: DTXSID0074009
UNII: 950L7O6RJA
EC Number: 239-993-2
Nikkaji: J99.897D

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 4
Heavy atoms: 8
Formal charge: 0
Complexity: 62.4

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: -87.38 °C · -87.38°C
Boiling point: 117 · 117-120 °C (lit.)
Density: 0.713 g/mL · 0.713 g/mL at 25 °C (lit.)
vapor pressure: 38 mm · 38 mm Hg ( 37.7 °C)
refractive index: 20 · n20/D 1.411(lit.)
Flash point: 50 °F · 50 °F
form: clear liquid
color: Colorless to Almost colorless
BRN: 1733419 · 1733419
Henry's Law Constant: 9.6 · 9.6×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
InChI: InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h2,4-7H2,1,3H3
InChIKey: RCBGGJURENJHKV-UHFFFAOYSA-N

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)

Aggregated GHS information provided per 144 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information1-Heptene, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3295 3/PG 2
hs_code: 2901.29.1050
risk_code: 11-65
Signal word: Danger
Symbol(GHS): GHS02,GHS08
hazard_code: F,Xn
safety_code: 9-16-23-29-33-62
hazard_class: 3.1
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H225-H304
Hazard Classifications: Asp. Tox. 1Flam. Liq. 2

Chemistry & industry

Applications

Uses2-Methyl-1-heptene was used to study the epoxidation of olefins with H2O2; where ionic liquid ( e.g. 1-butyl-3-methylimidazolium hexafluorophosphate) was an activator and Keggin polyoxometalate [bmim]3PW12O40 was the catalyst.