Basic information
- CAS
4110-50-3- Standard SMILES
CCCSCC- InChIKey
ZDDDFDQTSXYYSE-UHFFFAOYSA-N- Molecular formula
- C5H12S
- Average molar mass
- 104.22 g/mol
- Monoisotopic mass
- 104.06597156
Names & identifiers
- Preferred name
- Ethyl propyl sulfide
- IUPAC
- 1-ethylsulfanylpropane
- English name
- Ethyl n-propyl sulfide
- Molecular formula
- C5H12S
- Molecular weight
- 104.21
Names & synonyms
Ethyl propyl sulfideEthyl n-propyl sulfidePropane, 1-(ethylthio)-1-(Ethylthio)propane3-ThiahexanePropyl ethyl sulfideEthyl propyl sulphideSulfide, ethyl propylEthyl propyl thioetherUNII-4FK48S87VH4FK48S87VHEINECS 223-890-4
Show more names
EthylPropylSulfide>Ethyl propyl sulphide
NSC-163319n-C3H7SC2H5DTXSID3041958NSC 163319RefChem:139051DTXCID1021958ZDDDFDQTSXYYSE-UHFFFAOYSA-N4110-50-3
Database identifiers
- CAS
4110-50-3- PubChem CID
- 20063
- DTXSID
DTXSID3041958- UNII
- 4FK48S87VH
- EC Number
- 223-890-4
- Nikkaji
- J44.105H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 19.9
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Melting point
- -117 °C · -117°C
- Boiling point
- 115 · 115-117°C
- Density
- 0 · 0,843 g/cm3
- refractive index
- 1.443 to · 1.4430 to 1.4470
- FLAVIS Number
- 12.127 · 12.127 | Ethyl propyl sulfide
- Flash point
- 115 · 115-117°C
- form
- liquid
- Specific Gravity
- 0.84 · 0.84
- color
- Colorless to Almost colorless
- Specific Heat Capacity
- 1.9 J/ · Cp(liquid): 1.9 J/(g·K), at 25℃
- Henry's Law Constant
- 3.5 · 3.5×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
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]
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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Propane, 1-(ethylthio)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- ridadr
- 1993
- hs_code
- 2930.90.9250
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02
- safety_code
- 16-23-26-36
- hazard_class
- 3
- packing_group
- II
- Hazard statements
- H315-H319-H225
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers45 total
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]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [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]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
JINING XINHE CHEMICAL CO., LTD+8615318402391 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
山东李比希生物医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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