CAS 26637-94-5 2-Hexyloxirane (HCID 18126)

Overview

See also: (2R)-2-Hexyloxirane (annotation moved to).

Names & identifiers

Preferred name: 2-Hexyloxirane
IUPAC: 2-hexyloxirane
English name: 1,2-Epoxyoctane
Molecular formula: C8H16O
Molecular weight: 128.21

Names & synonyms

2984-50-12-HexyloxiraneHexyloxiraneOctylene epoxideOctene-1,2-oxideOktylenoxidOctylene oxideDTXSID301031190RefChem:856046DTXCID60894447221-047-51,2-EPOXYOCTANE

Show more names

NSC 24246HEXYLOXIRANn-Hexyloxirane1,2-Epoxyoktan1,2-EPOXYOCTAN

1-Octene oxideOxirane, hexyl-1-Octene epoxide1,2-Epoxy-n-octaneOctane 1,2-oxidealpha-Epoxyoctanen-Octene-1,2-oxideOctane, 1,2-epoxy-

Database identifiers

CAS: 26637-94-5、2984-50-1
PubChem CID: 18126
DTXSID: DTXSID301031190
EC Number: 221-047-5
Nikkaji: J34.611J

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 9
Formal charge: 0
Complexity: 71

Experimental & physicochemical properties

PolymersPlastics & Rubber -> Epoxides

Physical DescriptionColorless liquid; [Acros Organics MSDS]

Physicochemical properties

Boiling point: 62 · 62-64 °C17 mm Hg(lit.)
Density: 0.835 g/mL · 0.835 g/mL at 20 °C(lit.)
refractive index: 20 · n20/D 1.420
Flash point: 37 °C · 37 °C
storage temp.: 2 · 2-8°C
form: clear liquid
Specific Gravity: 0.839 · 0.839
color: Colorless to Almost colorless
Water Solubility: Slightly soluble in water.
Sensitive: Moisture Sensitive
BRN: 79912 · 79912
InChI: InChI=1S/C8H16O/c1-2-3-4-5-6-8-7-9-8/h8H,2-7H2,1H3
InChIKey: NJWSNNWLBMSXQR-UHFFFAOYSA-N
SMILES: O1CC1CCCCCC
CAS DataBase Reference: 2984 · 2984-50-1(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 10 · 10-36/37/38
Safety Statements: 16 · 16-26-36/37/39
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
RTECS: 9625000 · RG9625000
F: 9 · 9-21
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29109000 · 29109000
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Warning

H226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Oxirane, hexyl-

Hazards SummaryAn irritant; May cause CNS depression; [Acros Organics MSDS] See 1,2-Epoxybutane.

Hazard Classes and CategoriesFlam. Liq. 3 (97.8%)

Safety data

F: 9-21
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: RG9625000
ridadr: UN 1993 3/PG 3
hs_code: 29109000
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 16-26-36/37/39
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H226-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352-P305+P351+P338