Allyl Propyl Disulfide (CAS 2179-59-1) — formula C6H12S2, molecular weight 148.04 g/mol; category organic chemicals.
| CAS Number | 2179-59-1 |
|---|---|
| Molecular Formula | C6H12S2 |
| Molecular Weight | 148.04 g/mol |
| Melting Point | 5 °F (NTP, 1992) |
| Boiling Point | 66-68 °C at 16 mm Hg |
| LogP | 2.4 |
| Applications | Uses: The main volatile oil in onions, it is used as a food flavoring agent. [ACGIH], Synthetic flavor, food additive, Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Methods of Manufacturing: Treatment of 1-ethylthio-2-propenylthioethene with NaNH2 in liquid ammonia results in formation of Na-1-propenethiolate, which reacts with s-propyl propanethiosulfonate to give propenyl propyl disulfide in good yield., The chief volatile constituent of onion oil., General Manufacturing Information: Reported uses: in baked goods--5.0 ppm, in condiments, pickles--20.0 ppm, in meat, meat sauces, Soups--12.75 ppm., SULFUR-CONTAINING COMPD LISTED ON THE FEMA-GRAS LIST--PROPENYL PROPYL DISULFIDE., FEMA No. 3227., The chief volatile constituent of onion oil |
| Category | Organic Chemicals |
Documented applications: Uses: The main volatile oil in onions, it is used as a food flavoring agent. [ACGIH], Synthetic flavor, food additive, Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Methods of Manufacturing: Treatment of 1-ethylthio-2-propenylthioethene with NaNH2 in liquid ammonia results in formation of Na-1-propenethiolate, which reacts with s-propyl propanethiosulfonate to give propenyl propyl disulfide in good yield., The chief volatile constituent of onion oil., General Manufacturing Information: Reported uses: in baked goods--5.0 ppm, in condiments, pickles--20.0 ppm, in meat, meat sauces, Soups--12.75 ppm., SULFUR-CONTAINING COMPD LISTED ON THE FEMA-GRAS LIST--PROPENYL PROPYL DISULFIDE., FEMA No. 3227., The chief volatile constituent of onion oil.
Allyl Propyl Disulfide is a carbon-based organic compound with CAS registry number 2179-59-1 and molecular formula C6H12S2 (molecular weight 148.04 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2179-59-1
Its molecular formula C6H12S2 comprises 6 C, 12 H, 2 S atoms.
Also known as: Allyl Propyl Disulfide · allyl propyl disulphide
Category: organic chemicals
The CAS registry number of Allyl Propyl Disulfide is 2179-59-1.
Molecular formula C6H12S2, molecular weight 148.04 g/mol.
It is also registered under: Allyl Propyl Disulfide, allyl propyl disulphide.
Recorded applications: Uses: The main volatile oil in onions, it is used as a food flavoring agent. [ACGIH], Synthetic flavor, food additive, Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Methods of Manufacturing: Treatment of 1-ethylthio-2-propenylthioethene with NaNH2 in liquid ammonia results in formation of Na-1-propenethiolate, which reacts with s-propyl propanethiosulfonate to give propenyl propyl disulfide in good yield., The chief volatile constituent of onion oil., General Manufacturing Information: Reported uses: in baked goods--5.0 ppm, in condiments, pickles--20.0 ppm, in meat, meat sauces, Soups--12.75 ppm., SULFUR-CONTAINING COMPD LISTED ON THE FEMA-GRAS LIST--PROPENYL PROPYL DISULFIDE., FEMA No. 3227., The chief volatile constituent of onion oil.
Category: Organic Chemicals.
Independent reference data for Allyl Propyl Disulfide (CAS 2179-59-1), compiled from public chemistry databases.
| CAS Registry Number | 2179-59-1 |
|---|---|
| PubChem CID | 16591 |
| Molecular formula | C6H12S2 |
| Molecular weight | 148.04 g/mol |
| IUPAC name | 1-(prop-2-enyldisulfanyl)propane |
| InChIKey | FCSSPCOFDUKHPV-UHFFFAOYSA-N |
| UNII (FDA) | 0167D73R1T |
| ChEBI ID | CHEBI:173628 |
| FEMA number | 4073 |
| JECFA number | 1700 |
| Molecular Weight | 148.3 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 148.03804273 |
| Monoisotopic Mass | 148.03804273 |
| Topological Polar Surface Area | 50.6 |
| Heavy Atom Count | 8 |
| Boiling Point | 66-68 °C at 16 mm Hg |
|---|---|
| Boiling Point | 195.00 to 200.00 °C. @ 760.00 mm Hg |
| Boiling Point | at 2.1kPa: 66-69 °C |
| Boiling Point | 66 °C (10 mm Hg) |
| Melting Point | 5 °F (NTP, 1992) |
| Melting Point | -15 °C |
| Melting Point | 5 °F |
| Flash Point | 133.3 °F (NTP, 1992) |
| Flash Point | 133 °F |
| Flash Point | 56 °C |
ALLYL PROPYL DISULFIDE; 2179-59-1; 4,5-Dithia-1-octene; Disulfide, 2-propenyl propyl; 2-Propenyl propyl disulfide; Allyl propyl disulphide; Disulfide, allyl propyl; Propyl allyl disulfide; 3-(propyldisulfanyl)prop-1-ene; DTXSID8024448; FEMA NO. 4073; 0167D73R1T; DTXCID604448; RefChem:554885; 218-550-7; 1-Allyl-2-propyldisulfane
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H315 (95.8%), H319 (99%), H335 (97.9%), H226, H317, H320 |
|---|
H315 (95.8%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (99%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Allyl Propyl Disulfide is identified by CAS 2179-59-1, molecular formula C6H12S2 and molecular weight 148.04 g/mol. UNII 0167D73R1T; ChEBI 173628; InChIKey FCSSPCOFDUKHPV-UHFFFAOYSA-N. Boiling Point: 66-68 °C at 16 mm Hg; Boiling Point: 195.00 to 200.00 °C. @ 760.00 mm Hg; Boiling Point: at 2.1kPa: 66-69 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
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