CAS 25068-26-2 4-Methyl-1-pentene (HCID 12724)

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Basic information

CAS: 25068-26-2
Standard SMILES: C=CCC(C)C
InChIKey: WSSSPWUEQFSQQG-UHFFFAOYSA-N
Molecular formula: C6H12
Average molar mass: 84.16 g/mol
Monoisotopic mass: 84.09390038

Overview

4-methyl-1-pentene is a colorless liquid. (USCG, 1999)

Names & identifiers

Preferred name: 4-Methyl-1-pentene
IUPAC: 4-methylpent-1-ene
English name: POLY(4-METHYL-1-PENTENE)
Molecular formula: C6H12
Molecular weight: 84.15948

Names & synonyms

4-METHYL-1-PENTENE691-37-24-Methylpent-1-ene1-Pentene, 4-methyl-IsobutyletheneMFCD00008949X10HRJ2Y7WNSC-15091Isohexene4-methylpentene-1UNII-X10HRJ2Y7W4-methylpentene

Show more names

TPXPOLY(4-METHYL-1-PENTENE)poly(1-isopropylethylene)4-Methyl-1-pentene polymer.4-methyl-1-pentenhomopolymer4-methyl-1-pentene homopolymerPOLY(4-METHYLPENTENE-1)(ATACTIC)4-METHYL-1-PENTENE POLYMER ATACTICPOLY(4-METHYL-1-PENTENE) HIGH &POLY(4-METHYL-1-PENTENE) ISO 9001：2015 REACH

EINECS 211-720-1NSC 150914-methyl pent-1-ene4-Methylpentene-(1)EC 211-720-1SCHEMBL20071SCHEMBL20601SCHEMBL21207

Database identifiers

CAS: 25068-26-2、691-37-2
PubChem CID: 12724
DTXSID: DTXSID3061001
ChEBI: CHEBI:230295
UNII

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 35.3

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Aliphatics, Unsaturated

SpringerMaterials PropertiesBoiling point

Density0.665 (USCG, 1999) - Less dense than water; will float

Flash Point-25 °F (USCG, 1999)

Boiling Point127.4 to 129.2 °F at 760 mmHg (USCG, 1999)

Vapor Pressure · 2 items

438.93 mmHg (USCG, 1999)

272.0 [mmHg]

Physicochemical properties

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 4.1% (5 of 122) of reports.

Danger

H224 (18%): Extremely flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 122 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

Hazard information

Regulatory Information · 3 items

Chemical: 1-Pentene, 4-methyl-

Status: Active Update: 21-06-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29465

4-Methyl-1-pentene: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelFlammable Liquid

Fire HazardsSpecial Hazards of Combustion Products: Vapors may travel considerable distance to source of ignition and flashback. Container explosion may occur under fire conditions. Forms explosive mixtures in air. (USCG, 1999)

Health Hazards · 1 item

Harmful if inhaled or swallowed. Vapor or mist is irritating to the eyes, mucous membrane and upper respiratory tract. Causes skin irritation. Symptoms of exposure may include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea and vomiting. (USCG, 1999)

Hazards Summary · 1 item

Short term exposure causes smarting of the skin and first degree burns, with extended exposure possibly causing second degree burns; Mist or vapor causes eye, mucous membrane, and upper respiratory tract irritation; Inhalation causes dizziness, breathing difficulty, and loss of consciousness; Harmful by ingestion and inhalation; [CHRIS] A skin and strong eye irritant; Harmful by ingestion (may cause lung damage by aspiration); [Alfa Aesar MSDS] See 1-Pentene.

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Pentene, 4-methyl-: ACTIVE

Applications

UsesCoating for paper food containers for microwave and conventional ovens. Release coatings for food and synthetic leather. Molded into medical labware. Film for decorative laminates and printed circuit boards.