Basic information
- CAS
41820-22-8- Standard SMILES
C=CCSC(=O)CC- InChIKey
GKRISGLFPMFKSX-UHFFFAOYSA-N- Molecular formula
- C6H10OS
- Average molar mass
- 130.21 g/mol
- Monoisotopic mass
- 130.04523611
Names & identifiers
- Preferred name
- Allyl thiopropionate
- IUPAC
- S-prop-2-enyl propanethioate
- English name
- Allyl thiopropionate
- Molecular formula
- C6H10OS
- Molecular weight
- 130.21
Names & synonyms
Allyl thiopropionateS-Allyl thiopropionateThioacrylic propionateS-2-Propenyl propanethioate95HUD1BW6GPropanethioic acid, S-2-propenyl esterFEMA No. 3329UNII-95HUD1BW6G1-(prop-2-en-1-ylsulfanyl)propan-1-oneALLYL THIOPROPIONATE [FHFI]PROPANETHIOIC ACID, S-2-PROPEN-1-YL ESTERRefChem:110894
Show more names
Allyl thioproiOnateS-Allylthiopropionate,99%ALLYL THIOPROPIONATE 95+%ALLYL THIOPROPIONATE USP/EP/BP
620-617-4GKRISGLFPMFKSX-UHFFFAOYSA-N41820-22-8S-Allyl propanethioateS-prop-2-enyl propanethioateS-Allyl propanethioate #SCHEMBL1532458FEMA 3329
Database identifiers
- CAS
41820-22-8- PubChem CID
- 61995
- DTXSID
DTXSID20866064- UNII
- 95HUD1BW6G
- EC Number
- 620-617-4
- Nikkaji
- J1.539.211H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 88.5
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT, PH CONTROL AGENT -> FDA Substance added to food
Density0.898-0.902
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Point
150.00 to 151.00 °C. @ 760.00 mm Hg
151 °C
Refractive Index1.475-1.485
Physicochemical properties
- Boiling point
- 151.4 · 151.4±19.0 °C(Predicted)
- Density
- 0.965 g/mL · 0.965 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.482(lit.)
- FEMA
- 3329 · 3329 | ALLYL THIOPROPIONATE
- FLAVIS Number
- 12.101 · 12.101 | Allyl thiopropionate
- Flash point
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Propanethioic acid, S-2-propenyl ester
Propanethioic acid, S-2-propenyl ester: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- Xi
- safety_code
- 16-26-36/37/39
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226
- Precautionary statements
- P210-P240-P241-P280a-P303+P361+P353-P501a
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Applications
UsesALLYL THIOPROPIONATE is used as food flavorings.
Suppliers29 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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