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Allyl Propyl Disulfide

CAS 2179-59-1C6H12S2MW 148.04 g/mol

Allyl Propyl Disulfide (CAS 2179-59-1) — formula C6H12S2, molecular weight 148.04 g/mol; category organic chemicals.

Specifications

CAS Number2179-59-1
Molecular FormulaC6H12S2
Molecular Weight148.04 g/mol
Melting Point5 °F (NTP, 1992)
Boiling Point66-68 °C at 16 mm Hg
LogP2.4
CategoryOrganic Chemicals

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What this product is

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.

Identification

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

Frequently Asked Questions

What is the CAS number of Allyl Propyl Disulfide?

The CAS registry number of Allyl Propyl Disulfide is 2179-59-1.

What is the molecular formula and molecular weight of Allyl Propyl Disulfide?

Molecular formula C6H12S2, molecular weight 148.04 g/mol.

What other names is Allyl Propyl Disulfide known by?

It is also registered under: Allyl Propyl Disulfide, allyl propyl disulphide.

Which category does Allyl Propyl Disulfide belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for Allyl Propyl Disulfide (CAS 2179-59-1), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statementsH315 (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]

Regulatory listings

Regulatory & Food ContactEU 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

Physical description and 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

Reported physical properties

沸点66-68 °C at 16 mm Hg
沸点195.00 to 200.00 °C. @ 760.00 mm Hg
沸点at 2.1kPa: 66-69 °C
沸点66 °C (10 mm Hg)
熔点5 °F (NTP, 1992)
熔点-15 °C
熔点5 °F
闪点133.3 °F (NTP, 1992)
闪点133 °F
闪点56 °C

How this substance is indexed

CAS Registry Number2179-59-1
PubChem CID16591
分子式C6H12S2
分子量148.04 g/mol
IUPAC 名称1-(prop-2-enyldisulfanyl)propane
InChIKeyFCSSPCOFDUKHPV-UHFFFAOYSA-N
UNII(FDA)0167D73R1T
ChEBI 编号CHEBI:173628
FEMA 编号4073
JECFA 编号1700

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.

Names this substance appears under

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

Computed molecular descriptors

分子量148.3
XLogP32.4
氢键供体数0
氢键受体数2
可旋转键数5
精确质量148.03804273
单同位素质量148.03804273
拓扑极性表面积50.6
重原子数8
形式电荷0

Database abstract

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. 沸点: 66-68 °C at 16 mm Hg; 沸点: 195.00 to 200.00 °C. @ 760.00 mm Hg; 沸点: at 2.1kPa: 66-69 °C.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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