CAS 85721-25-1 (7-Octenyl)oxirane (HCID 543758)

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Basic information

CAS: 85721-25-1
Standard SMILES: C=CCCCCCCC1CO1
InChIKey: FCZHJHKCOZGQJZ-UHFFFAOYSA-N
Molecular formula: C10H18O
Average molar mass: 154.25 g/mol
Monoisotopic mass: 154.1357652

Overview

1,2-epoxy-9-decene is an alkene and an epoxide. It is functionally related to a 1-decene.

Names & identifiers

Preferred name: (7-Octenyl)oxirane
IUPAC: 2-oct-7-enyloxirane
English name: 1,2-Epoxy-9-decene
Molecular formula: C10H18O
Molecular weight: 154.25

Names & synonyms

1,2-Epoxy-9-decene85721-25-1(7-Octenyl)oxiraneOxirane, (7-octenyl)-Oct-7-enyloxirane2-(7-octen-1-yl)OxiraneD2A752E1N5EINECS 288-437-59,10-EPOXY-1-DECENERefChem:4053312-oct-7-enyloxirane2-(oct-7-en-1-yl)oxirane

Show more names

1,2,-Epoxy-9-decane2-(7-Octenyl)oxiraneOct-7-en-1-yloxirane1,2-Epoxy-9-decene>1,2-Epoxy-9-decene,96%1,2-EPOXY-9-DECENE 96%

MFCD00069427UNII-D2A752E1N52-(7-Octenyl)oxirane #SCHEMBL143336SCHEMBL18783602SCHEMBL290898661,2-Epoxy-9-decene, 96%CHEBI:229726

Database identifiers

CAS: 85721-25-1
PubChem CID: 543758
DTXSID: DTXSID701006337
ChEBI: CHEBI:229726
UNII: D2A752E1N5
EC Number: 288-437-5
Nikkaji: J256.544G

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 7
Heavy atoms: 11
Formal charge: 0
Complexity: 109

Physicochemical properties

Melting point: 25 °C · 25 °C
Boiling point: 212 °C · 212 °C
Density: 0.842 g/mL · 0.842 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.442(lit.)
Flash point: 173 °F · 173 °F
storage temp.: 0 · 0-6°C
form: clear liquid
color: Colorless to Almost colorless
Sensitive: Moisture Sensitive
BRN: 4305759 · 4305759
InChI: 1S/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h2,10H,1,3-9H2
InChIKey: FCZHJHKCOZGQJZ-UHFFFAOYSA-N
SMILES: C=CCCCCCCC1CO1
CAS DataBase Reference: 85721 · 85721-25-1(CAS DataBase Reference)
FDA UNII: 2 A752E1N5 · D2A752E1N5
UNSPSC Code: 12352100 · 12352100

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29109000
risk_code: 37/38-41
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H318-H335
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Applications

Uses1,2-Epoxy-9-decene is an unsaturated epoxide. Hydrogenation of the C=C bond of 1,2-epoxy-9-decene over palladium nanoparticles, namely PdOAc,N has been reported.

General Description1,2-Epoxy-9-decene is an unsaturated epoxide. Hydrogenation of the C=C bond of 1,2-epoxy-9-decene over palladium nanoparticles, namely PdOAc,N has been reported.