Basic information
- CAS
22438-39-7- Standard SMILES
CCCCCCCCCCSC- InChIKey
HKGUUZAACYBIID-UHFFFAOYSA-N- Molecular formula
- C11H24S
- Average molar mass
- 188.38 g/mol
- Monoisotopic mass
- 188.15987194
Names & identifiers
- Preferred name
- Decyl methyl sulphide
- IUPAC
- 1-methylsulfanyldecane
- English name
- n-Decyl methyl sulfide
- Molecular formula
- C11H24S
- Molecular weight
- 188.37
Names & synonyms
22438-39-7Decyl methyl sulphideEINECS 244-997-2DTXSID60176977RefChem:585582DTXCID3099468244-997-2Decyl methyl sulfiden-Decyl methyl sulfide1-(Methylsulfanyl)decane1-methylsulfanyldecane1-(Methylthio)decane
Show more names
1-(Methylthio)-decaneDecyl Methyl Sulfide >Methyl n-decyl sulfide
Decyl(methyl)sulfane2-ThiadodecaneMFCD00026541Decane, 1-(methylthio)-n-Decyl methyl sulphideSCHEMBL201395SCHEMBL201396SCHEMBL291923
Database identifiers
- CAS
22438-39-7- PubChem CID
- 89712
- DTXSID
DTXSID60176977- EC Number
- 244-997-2
- Nikkaji
- J208.421J
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 71.4
Physicochemical properties
- Melting point
- -26.79 °C · -26.79°C (estimate)
- Boiling point
- 126 · 126-127°C 14mm
- Density
- 0 · 0,845 g/cm3
- refractive index
- 1.4605 · 1.4605
- Flash point
- 126 · 126-127°C/14mm
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- form
- clear liquid
- color
- Colorless to Light yellow
- Specific Gravity
- 0.84 · 0.84
- BRN
- 1736530 · 1736530
- Henry's Law Constant
- 1.7 · 1.7×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
- Hazard statements
- 413 · H413
- Safety Statements
- 23 · 23-24/25
- HS Code
- 2930.9 · 2930.90.9250
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- hs_code
- 2930.90.9250
- safety_code
- 23-24/25
- Hazard statements
- H413
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers27 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
TCI AMERICA800-4238616 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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