Basic information
- CAS
286-99-7- Standard SMILES
C1CCCCCC2OC2CCCC1- InChIKey
VLJLXEKIAALSJE-UHFFFAOYSA-N- Molecular formula
- C12H22O
- Average molar mass
- 182.3 g/mol
- Monoisotopic mass
- 182.16706532
Names & identifiers
- Preferred name
- 13-Oxabicyclo[10.1.0]tridecane
- IUPAC
- 13-oxabicyclo[10.1.0]tridecane
- English name
- 1,2-Epoxycyclododecane
- Molecular formula
- C12H22O
- Molecular weight
- 182.3
Names & synonyms
13-Oxabicyclo[10.1.0]tridecane1,2-Epoxycyclododecane286-99-7CYCLODODECANE EPOXIDECCRIS 375413-Oxabicyclo(10.1.0)tridecaneEINECS 206-012-4NSC 521077AI3-26439DTXSID00883355RefChem:7850613-Oxabicyclo10.1.0tridecane
Show more names
CyclododecaneEoxideCYCLODODECANE OXIDE13-Oxabicyclo[10.1.01,2-EPOXYCYCLODODECANE 95+%Cyclododecane epoxide isomers
DTXCID301022892206-012-4VLJLXEKIAALSJE-UHFFFAOYSA-NCyclododecene oxideEpoxycyclododecaneCyclododecene epoxideCyclododecane, 1,2-epoxy-MFCD00005116
Database identifiers
- CAS
286-99-7- PubChem CID
- 9248
- DTXSID
DTXSID00883355- EC Number
- 206-012-4
- Nikkaji
- J113.652F
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Melting point
- -7 °C · -7 °C
- Boiling point
- 274 · 274-276 °C(lit.)
- Density
- 0.947 g/mL · 0.947 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.481
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Sealed in dry,2-8°C
- form
- clear liquid
- color
- Colorless to Light yellow
- BRN
- 106689 · 106689
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- 1S/C12H22O/c1-2-4-6-8-10-12-11(13-12)9-7-5-3-1/h11-12H,1-10H2
- InChIKey
- VLJLXEKIAALSJE-UHFFFAOYSA-N
- SMILES
- C1CCCCCC2OC2CCCC1
- LogP
- 4.7 · 4.700
- CAS DataBase Reference
- 286 · 286-99-7(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- Cyclododecene oxide (286-99-7)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 401 · H401
- Precautionary statements
- 273 · P273-P501
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 38 · 38
- Safety Statements
- 24 · 24/25
- WGK Germany
- 2 · 2
- F
- 21 · 21
- TSCA
- TSCA listed
- HS Code
- 2910.9 · 2910.90.9100
- Storage Class
- 10 · 10 - Combustible liquids
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 83% (186 of 224) of all reports.
Warning
H315 (17%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 224 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 186 of 224 reports by companies.；There is 1 notification provided by 38 of 224 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: 13-Oxabicyclo[10.1.0]tridecane
Status: Active Update: 30-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/18987
13-Oxabicyclo10.1.0tridecane: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (17%)
Regulatory information
Regulatory Information
Chemical: 13-Oxabicyclo[10.1.0]tridecane
Status: Active Update: 30-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/18987
13-Oxabicyclo10.1.0tridecane: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- F
- 21
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 2910.90.9100
- risk_code
- 38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H401
- REACH Registrations
- Active
- Precautionary statements
- P273-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information13-Oxabicyclo[10.1.0]tridecane: ACTIVE
Applications
UsesThe kinetics of the rearrangement of 1,2-epoxycyclododecane, catalyzed by lithium bromide in the presence of polyethylene glycol 400, was studied.
General DescriptionThe kinetics of the rearrangement of 1,2-epoxycyclododecane, catalyzed by lithium bromide in the presence of polyethylene glycol 400, was studied.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers47 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
29 records
Compound notes
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