CAS 1192-37-6 Methylenecyclohexane (HCID 14502)

Names & identifiers

Preferred name: Methylenecyclohexane
IUPAC: methylidenecyclohexane
English name: Methylenecyclohexane
Molecular formula: C7H12
Molecular weight: 96.17

Names & synonyms

Methylenecyclohexane1192-37-6Cyclohexane, methylene-methylidenecyclohexane1-MethylenecyclohexaneEINECS 214-752-4NSC 73918DTXSID4061595RefChem:818601DTXCID2033493214-752-4InChI=1/C7H12/c1-7-5-3-2-4-6-7/h1-6H

Show more names

SKL042Methycenecyclohexanemethylene-cyclohexancyclohexane,methylene-Methylenecyclohexane>Methylenecyclohexane,98%Methylenecyclohexane,99+%Methylenecyclohexane, 98% 1GR

MFCD00001661methylene-cyclohexaneET4NT9H9LBNSC-73918NSC73918UNII-ET4NT9H9LBMethylenecyclohexane, 98%METHYLENE CYCLOHEXANE

Database identifiers

CAS: 1192-37-6
PubChem CID: 14502
DTXSID: DTXSID4061595
UNII: ET4NT9H9LB
EC Number: 214-752-4
Nikkaji: J132.796H

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 64.1

Experimental & physicochemical properties

SpringerMaterials PropertiesCoriolis coupling

Physicochemical properties

Melting point: -106.7 °C · -106.7°C
Boiling point: 102 · 102-103 °C (lit.)
Density: 0.8 g/mL · 0.8 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.449(lit.)
Flash point: 20 °F · 20 °F
storage temp.: 2 · 2-8°C
form: Liquid
color: Clear colorless
BRN: 773760 · 773760
Stability: Stable. Highly flammable. Incompatible with strong oxidizing agents. Refrigerate.
InChI: 1S/C7H12/c1-7-5-3-2-4-6-7/h1-6H2
InChIKey: YULMNMJFAZWLLN-UHFFFAOYSA-N
SMILES: C=C1CCCCC1
FDA UNII: 4 NT9H9LB · ET4NT9H9LB
EPA Substance Registry System: Cyclohexane, methylene- (1192-37-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS08
Signal word: Danger
Hazard statements: 225 · H225-H304
Precautionary statements: 210 · P210-P233-P240-P241-P301+P310-P331
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F,Xn
Risk Statements: 11 · 11-65
Safety Statements: 16 · 16-23-24/25-62
RIDADR: 3295 · UN 3295 3/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 3.1 · 3.1
PackingGroup: II
HS Code: 29021900 · 29021900
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 1 Flam · Asp. Tox. 1Flam. Liq. 2
Limited Quantities: 1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

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 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

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

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 3295 3/PG 2
hs_code: 29021900
risk_code: 11-65
Signal word: Danger
Symbol(GHS): GHS02,GHS08
hazard_code: F,Xn
safety_code: 16-23-24/25-62
hazard_class: 3.1
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H225-H304
Limited Quantities: 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Asp. Tox. 1Flam. Liq. 2
Precautionary statements: P210-P233-P240-P241-P301+P310-P331

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCyclohexane, methylene-: ACTIVE

Applications

UsesMethylenecyclohexane is excellent building block for organic molecules.

General DescriptionMethylenecyclohexane ring is obtained by 1,4-addition of 4-pentenylmagnesium bromide to 2-cyano-2-cycloalkenones followed by a Pd(II)-mediated oxidative cyclization. It undergoes gas phase ozonolysis to form secondary organic aerosol (SOA).