6-Oxabicyclo[3.1.0]hexane (HCID 9244)

Names & identifiers

Preferred name: 6-Oxabicyclo[3.1.0]hexane
IUPAC: 6-oxabicyclo[3.1.0]hexane
English name: Cyclopentene oxide
Molecular formula: C5H8O
Molecular weight: 84.12

Names & synonyms

6-Oxabicyclo[3.1.0]hexane6-Oxabicyclo(3.1.0)hexaneDTXSID50861845RefChem:5441726-Oxabicyclo3.1.0hexaneDTXCID90810711MFCD000051616-oxa-bicyclo[3.1.0]hexaneCyclopenteneoxideCyclopentane,2-epoxy-(+-)-6-Oxabicyclo(3.1.0)hexaneUNII-U3EKO505C5

Show more names

1,2-EPOXYCYCLOPENTANECyclopentene epoxide1,2-Epoxycyclopentane, Cyclopentene oxidecyclopentaneoxideEpoxycyclopentaneCyclopentane oxideCYCLOPENTENE OXIDE6-OXABICYCLOHEXANEcyclopenteneepoxide

Cyclopentane oxide; Cyclopentane, 1,2-epoxy-; Cyclopentene epoxide; Cyclopentene oxide; Cyclopentene, oxide1,2-epoxy cyclopentaneCyclopentene oxide, 97%Cyclopentene oxide, 98%SCHEMBL15842SCHEMBL2632576-oxa-bicyclo[3,1,0]hexaneSCHEMBL1645989

Database identifiers

CAS: 285-67-6
PubChem CID: 9244
DTXSID: DTXSID50861845
Nikkaji: J27.201I

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 62.3

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 136 · 136-137 °C
Boiling point: 102 °C · 102 °C(lit.)
Density: 0.964 g/mL · 0.964 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.434(lit.)
Flash point: 50 °F · 50 °F
storage temp.: 2 · 2-8°C
form: Liquid
color: Clear colorless to very faintly yellow
Water Solubility: Immiscible with water.
BRN: 102495 · 102495
InChI: InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2
InChIKey: GJEZBVHHZQAEDB-UHFFFAOYSA-N
SMILES: C12C(O1)CCC2
LogP: 0.908 · 0.908 (est)
CAS DataBase Reference: 285 · 285-67-6(CAS DataBase Reference)
FDA UNII: 3 EKO505C5 · U3EKO505C5
NIST Chemistry Reference: -1 · cis-1,2-Epoxycyclopentane(285-67-6)
EPA Substance Registry System: 6 · 6-Oxabicyclo[3.1.0]hexane (285-67-6)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-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: F,Xi
Risk Statements: 11 · 11-36/37/38
Safety Statements: 16 · 16-26-36-36/37/39
RIDADR: 1993 · UN 1993 3/PG 2
WGK Germany: 3 · 3
RTECS: 8935000 · RN8935000
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29109000 · 29109000
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Hazardous Substances Data: 285 · 285-67-6(Hazardous Substances Data)
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

Hazard information

Regulatory Information6-Oxabicyclo3.1.0hexane: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: RN8935000
ridadr: UN 1993 3/PG 2
hs_code: 29109000
risk_code: 11-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: F,Xi
safety_code: 16-26-36-36/37/39
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H225-H315-H319-H335
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: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352-P305+P351+P338
Hazardous Substances Data: 285-67-6(Hazardous Substances Data)

Chemistry & industry

Uses & manufacturing

General Manufacturing Information6-Oxabicyclo[3.1.0]hexane: ACTIVE

Applications

UsesCyclopentene oxide is used to prepare beta-amino alcohols by reacting with aromatic amines using bismuth trichloride as a catalyst.

Upstream & downstream products

Upstream raw materials

Downstream products

trans-1,2-Cyclopentanediol Iodocyclopentane trans-2-Methylcyclopentanol Cyclopentanol, 2-[2-(trimethylsilyl)ethynyl]-Cyclopentanol, 2-[(1-methylethyl)amino]-, trans- (9CI)Cyclopentanol, 2-methoxy-, (1R,2R)-Cyclopentanol, 2-(2-propyn-1-yl)-, (1R,2R)-rel-

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

山东春雨精细化工有限责任公司13561220159 · [email protected]

Related reactions

90 records

New reaction record

HRID 26237As reactantuspto-grants-1979_04

HRID 37119As reactantuspto-grants-1995_05

HRID 46777As reactantuspto-grants-1979_11

HRID 65735As reactantuspto-grants-1978_12

HRID 81156As reactantuspto-grants-2014_09

HRID 119694As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 130889As reactantuspto-grants-2008_06

HRID 141185As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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Basic information