Basic information
- CAS
1228182-37-3- Standard SMILES
[13CH2]1[13CH2]O[13CH2][13CH2]O1- InChIKey
RYHBNJHYFVUHQT-JCDJMFQYSA-N- Molecular formula
- C4H8O2
- Average molar mass
- 92.076 g/mol
- Monoisotopic mass
- 92.06584884
Names & identifiers
- Preferred name
- (~13~C_4_)-1,4-Dioxane
- IUPAC
- (2,3,5,6-13C4)1,4-dioxane
- English name
- 1,4-Dioxane-13C4
- Molecular formula
- C4H8O2
- Molecular weight
- 88.10512
Names & synonyms
1228182-37-3DTXSID40745963(~13~C_4_)-1,4-DioxaneRefChem:211337DTXCID206967071,4-Dioxane-13C4(2,3,5,6-13C4)1,4-dioxane1,4-Dioxane-13C4, 99 atom % 13C, 97% (CP)[13C4]-1,4-Dioxane
Database identifiers
- CAS
1228182-37-3- PubChem CID
- 71309681
- DTXSID
DTXSID40745963- EC Number
- 693-934-9
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 26.5
Physicochemical properties
- Melting point
- 10 · 10-12°C (lit.)
- Boiling point
- 100 · 100-102°C (lit.)
- Density
- 1.08 g/mL · 1.08 g/mL at 25 °C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Colourless
- Stability
- Volatile
- InChI
- 1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2/i1+1,2+1,3+1,4+1
- InChIKey
- RYHBNJHYFVUHQT-JCDJMFQYSA-N
- SMILES
- [13CH2]1[13CH2]O[13CH2][13CH2]O1
- UNSPSC Code
- 12352005 · 12352005
- Symbol(GHS)
- 7 · GHS07,GHS02,GHS08
- Signal word
- Danger
- Hazard statements
- 335 · H335-H319-H225-H351
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P-P201-P202-P281-P308+P313-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- wgk
- WGK 3
- risk_code
- 11-19-36/37-40-66
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02,GHS08
- hazard_code
- F,Xn
- safety_code
- 9-16-36/37-46
- Storage Class
- 3 - Flammable liquids
- target organs
- Respiratory system
- Hazard statements
- H335-H319-H225-H351
- Hazard Classifications
- Carc. 1BEye Irrit. 2Flam. Liq. 2STOT SE 3
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P-P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Applications
Uses1,4-Dioxane-13C4 is a heterocyclic organic compound that is used for a variety of practical applications as well as in the laboratory.
Suppliers2 total
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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