Basic information
- CAS
5008-73-1- Standard SMILES
CCCSC(C)C- InChIKey
BDFDQOJJDDORSR-UHFFFAOYSA-N- Molecular formula
- C6H14S
- Average molar mass
- 118.24 g/mol
- Monoisotopic mass
- 118.08162162
Names & identifiers
- Preferred name
- Isopropyl propyl sulfide
- IUPAC
- 1-propan-2-ylsulfanylpropane
- English name
- ISOPROPYL N-PROPYL SULFIDE
- Molecular formula
- C6H14S
- Molecular weight
- 118.24
Names & synonyms
5008-73-1ISOPROPYL N-PROPYL SULFIDEIsopropyl Propyl Sulfide1-((1-Methylethyl)thio)propane1-[(1-methylethyl)thio]propaneA3V2T3L7XVEINECS 225-686-0DTXSID10198200RefChem:792217DTXCID00120691225-686-01-propan-2-ylsulfanylpropane
Show more names
2-methyl-3-thiahexane2-(propylthio)propanepropylisopropylsulfideisopropylpropylsulfidesulfide,isopropylpropyl2-propylsulfanylpropaneIsopropylPropylSulfide>
Sulfide, isopropyl propyl1-(Isopropylsulfanyl)propaneMFCD00027125Propane, 1-[(1-methylethyl)thio]-Isopropylpropyl sulfidePropyl isopropyl sulfide1-isopropylsulfanylpropanen-Propyl isopropyl sulfide
Database identifiers
- CAS
5008-73-1- PubChem CID
- 78708
- DTXSID
DTXSID10198200- UNII
- A3V2T3L7XV
- EC Number
- 225-686-0
- Nikkaji
- J132.820D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 33.2
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -96.69 °C · -96.69°C (estimate)
- Boiling point
- 132 °C · 132 °C
- Density
- 0.83 · 0.83
- refractive index
- 1.443 to · 1.4430 to 1.4460
- form
- liquid (estimate)
- color
- Colorless to Light yellow
- Henry's Law Constant
- 2.8 · 2.8×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
- CAS DataBase Reference
- 5008 · 5008-73-1
- FDA UNII
- 3 V2T3L7XV · A3V2T3L7XV
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315-H225-H335
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 (97.5%): 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+P354+P338, P317, P319, P321, P332+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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (97.5%)
Safety data
- ridadr
- UN 1993 3/PG III
- hs_code
- 2930.90.9250
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS05
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H318-H315-H225-H335
- Precautionary statements
- P280-P305+P351+P338-P310-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers28 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]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
南京大唐医药科技有限公司025-84341491 13951930983 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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