Allyl Propyl Disulfide

Description

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.

Identification

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

Computed Descriptors

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
Formal Charge	0

Physical & Chemical Properties

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

Physical description & handling notes

• Allyl propyl disulfide is a clear pale yellow liquid with a pungent odor. (NTP, 1992)
• Pale-yellow liquid with a strong & irritating onion-like odor. [Note: The chief volatile component of onion oil.] [NIOSH]
• PALE YELLOW LIQUID WITH PUNGENT ODOUR.
• Colourless to yellowish liquid; Fruity, garlic odour
• Pale-yellow liquid with a strong & irritating onion-like odor.
• Liquid

Regulatory Status

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

GHS Hazard Classification

Reported hazard statements	H315 (95.8%), H319 (99%), H335 (97.9%), H226, H317, H320

Documented Uses

• The main volatile oil in onions, it is used as a food flavoring agent. [ACGIH]
• Synthetic flavor; food additive
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• 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.

Synonyms

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

Frequently Asked Questions

What are the CAS number and molecular formula of Allyl Propyl Disulfide?

CAS 2179-59-1; molecular formula C6H12S2; molecular weight 148.04 g/mol.

What other names is Allyl Propyl Disulfide known by?

ALLYL PROPYL DISULFIDE, 2179-59-1, 4,5-Dithia-1-octene, Disulfide, 2-propenyl propyl, 2-Propenyl propyl disulfide, Allyl propyl disulphide.

What is the regulatory status of Allyl Propyl Disulfide?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Allyl Propyl Disulfide classified as hazardous?

Hazard statements reported: H315, H319, H335, H226, H317.

What are the key physical properties of Allyl Propyl Disulfide?

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).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.