1,2:5,6-Diepoxyhexane

HCID 15903

Notes Reactions

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Basic information

CAS: 1888-89-7
Standard SMILES: C(CC1CO1)C1CO1
InChIKey: HTJFSXYVAKSPNF-UHFFFAOYSA-N
Molecular formula: C6H10O2
Average molar mass: 114.14 g/mol
Monoisotopic mass: 114.06807956

Names & identifiers

Preferred name: 1,2:5,6-Diepoxyhexane
IUPAC: 2-[2-(oxiran-2-yl)ethyl]oxirane
English name: 1,5-Hexadiene diepoxide
Molecular formula: C6H10O2
Molecular weight: 114.14

Names & synonyms

1888-89-71,2,5,6-Diepoxyhexane1,2:5,6-Diepoxyhexane28Q8VMP7TERefChem:411026217-564-01,5-Hexadiene diepoxide2-[2-(oxiran-2-yl)ethyl]oxirane1,5-Hexadienediepoxide1,2-Di(oxiran-2-yl)ethaneMFCD01723447Hexitol, 1,2:5,6-dianhydro-3,4-dideoxy-

Show more names

Hexadienediepoxide1,2:5,6-diepoxy-hexan1,2-Bisoxiranylethane2,2'-Ethylenebisoxirane1,2,5,6-Diepoxyhexane,97%2,2'-Ethylenebis(oxirane)

CCRIS 3751Hexane, 1,2:5,6-diepoxy-EINECS 217-564-0NSC 47548Oxirane, 2,2'-(1,2-ethanediyl)bis-1,2-Di(oxiran-2-yl)ethane; 1,5-Hexadiene diepoxide; NSC 475481,6-Diepoxyhexane1,5,6-Diepoxyhexane

Database identifiers

CAS: 1888-89-7
PubChem CID: 15903
DTXSID: DTXSID00940391
EC Number: 217-564-0
Nikkaji: J36.963B

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 25.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 80

Physicochemical properties

Boiling point: 62 °C · 62 °C (300 mmHg)
Density: 0.98 · 0.98
refractive index: 1.439 · 1.439-1.441
Flash point: 97 °C · 97 °C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: clear liquid
color: Colorless to Light yellow
Specific Gravity: 0.98 · 0.98
optical activity: Consistent with structure
InChI: InChI=1S/C6H10O2/c1(5-3-7-5)2-6-4-8-6/h5-6H,1-4H2
InChIKey: HTJFSXYVAKSPNF-UHFFFAOYSA-N
SMILES: C1(OC1)CCC1OC1
FDA UNII: 28 Q8VMP7TE · 28Q8VMP7TE
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 302 · H302-H226-H312-H315-H332-H319
Precautionary statements: 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: T
Risk Statements: 46 · 46-45-23/24/25
Safety Statements: 53 · 53-45-36/37
RIDADR: 1993 · 1993
RTECS: 1575000 · MO1575000
HS Code: 29109000 · 29109000

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)

Safety data

rtecs: MO1575000
ridadr: 1993
hs_code: 29109000
risk_code: 46-45-23/24/25
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: T
safety_code: 53-45-36/37
Hazard statements: H302-H226-H312-H315-H332-H319
Precautionary statements: P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

Uses1,2,5,6-Diepoxyhexane is an intermediate used to prepare C13-22 fragment of amphidinolide T2 via nickel-catalyzed reductive coupling of alkyne and terminal epoxide.