Basic information
- Standard SMILES
C1CSCCO1- InChIKey
JBYHSSAVUBIJMK-UHFFFAOYSA-N- Molecular formula
- C4H8OS
- Average molar mass
- 104.17 g/mol
- Monoisotopic mass
- 104.02958588
Overview
structure in first source
Names & identifiers
- Preferred name
- 1,4-Oxathiane
- IUPAC
- 1,4-oxathiane
- English name
- 1,4-Oxathiane
- Molecular formula
- C4H8OS
- Molecular weight
- 104.17
Names & synonyms
1,4-Oxathiane1,4-THIOXANE15980-15-1p-Thioxane1-Oxa-4-thiacyclohexane1,4-Oxathiin, 2,3,5,6-tetrahydro-2X66H33V2VNSC-49179DTXSID0065985RefChem:73371DTXCID2035144240-117-6
Show more names
OxathianeSKL2791,4-thioxan1,4-thioalkaneOxathiane, 1,4-1,4-Thioxane, 98+%
MFCD00006573NSC 491791-Thia-4-oxacyclohexaneCCRIS 1746EINECS 240-117-6ThioatherWLN: T6O DSTJ1,4-Thioxane, 98%
Database identifiers
- CAS
15980-15-1- PubChem CID
- 27596
- DTXSID
DTXSID0065985- UNII
- 2X66H33V2V
- EC Number
- 240-117-6
- Nikkaji
- J34.623C
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 34.5
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Density1.12 @ 20°C
Boiling Point148.7 °C @760 [mm Hg]
Melting Point-17 °C
Physicochemical properties
- Melting point
- -17 °C · -17°C
- Boiling point
- 147 °C755 · 147 °C755 mm Hg(lit.)
- Density
- 1.114 g/mL · 1.114 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5095(lit.)
- Flash point
- 108 °F · 108 °F
- storage temp.
- Sealed in dry,Room Temperature
- Water Solubility
- Slightly soluble in water
- form
- liquid
- Specific Gravity
- 1.114 · 1.114
- color
- Water-white, refractive, mobile liquid。
- Odor
- characteristic odor
- BRN
- 102552 · 102552
- InChI
- InChI=1S/C4H8OS/c1-3-6-4-2-5-1/h1-4H2
- InChIKey
- JBYHSSAVUBIJMK-UHFFFAOYSA-N
- SMILES
- O1CCSCC1
- CAS DataBase Reference
- 15980 · 15980-15-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 X66H33V2V · 2X66H33V2V
- EPA Substance Registry System
- 1 · 1,4-Oxathiane (15980-15-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P233-P240-P241-P303+P361+P353-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 10 · 10-36/37/38
- Safety Statements
- 16 · 16-26-27-36/37/39
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 2 · 2
- RTECS
- 4200000 · RP4200000
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29349990 · 29349990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 2830 mg/kg AMIHBC 4,119,51
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety & protection
Protective Action Criteria (PAC)
2.6 [ppm]
29 [ppm]
170 [ppm]
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- RP4200000
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29349990
- Toxicity
- LD50 orl-rat: 2830 mg/kg AMIHBC 4,119,51
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 16-26-27-36/37/39
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P233-P240-P241-P303+P361+P353-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Oxathiane: ACTIVE
Applications
Uses1,4-Oxathiane is a useful reactant and reagent for organic reactions. It has been used as an oxygen donor adduct to study the growth of ZnO nanowires through chemical vapour deposition.
Uses1,4-Thioxane (1,4-oxathiane) was used to study the growth and characterization of the vertically aligned zinc oxide (ZnO) nanowires.
Upstream & downstream products
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Related reactions
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