3-(Propylthio)propene
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Basic information
- CAS
27817-67-0- Standard SMILES
C=CCSCCC- InChIKey
JMLIYQJQKZYHDQ-UHFFFAOYSA-N- Molecular formula
- C6H12S
- Average molar mass
- 116.23 g/mol
- Monoisotopic mass
- 116.06597156
Names & identifiers
- Preferred name
- 3-(Propylthio)propene
- IUPAC
- 1-prop-2-enylsulfanylpropane
- English name
- ALLYL N-PROPYL SULFIDE
- Molecular formula
- C6H12S
- Molecular weight
- 116.22
Names & synonyms
Allyl propyl sulfide3-(Propylthio)propene1-prop-2-enylsulfanylpropane1-Propene, 3-(propylthio)-3-(propylthio)-1-Propene6038AN0CTJEINECS 248-673-1NSC-164926DTXSID80182136NSC 164926RefChem:496023DTXCID90104627
Show more names
CH3CH2CH2SCH2CH=CH2Propylallyl sulfideallyl(propyl)sulfaneALLYL PROPYL SULPHIDEN-PROPYL ALLYL SULFIDE3-Propylthio-1-propene3-(propylthio)-1-propen
248-673-127817-67-0Allyl n-propyl sulfideMFCD00015220Propyl allyl sulfideAllylpropyl sulfide3-(propylsulfanyl)prop-1-ene1-allylsulfanylpropane
Database identifiers
- CAS
27817-67-0- PubChem CID
- 98781
- DTXSID
DTXSID80182136- UNII
- 6038AN0CTJ
- EC Number
- 248-673-1
- Nikkaji
- J207.963A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 41.4
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 140 °C · 140°C
- Density
- 0 · 0,87 g/cm3
- refractive index
- 1.466 · 1.4660-1.4690
- FLAVIS Number
- 12.099 · 12.099 | Allyl propyl sulfide
- form
- clear liquid
- Specific Gravity
- 0.87 · 0.87
- color
- Colorless to Light yellow
- Odor
- 0.1 % · at 0.10 % in propylene glycol. alliaceous green onion garlic
- Odor Type
- sulfurous
- LogP
- 2.549 · 2.549 (est)
- CAS DataBase Reference
- 27817 · 27817-67-0(CAS DataBase Reference)
- FDA UNII
- 6038 AN0CTJ · 6038AN0CTJ
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1-Propene, 3-(propylthio)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- ridadr
- 1993
- hs_code
- 2930.90.9250
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- safety_code
- 26-36/37/39
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226-H315-H319
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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