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Safety Information

W357804

Sigma-Aldrich

2-Methyl-4-propyl-1,3-oxathiane, mixture of cis and trans

≥98%, FG

Synonym(s):

2-tropical oxathiane, Tropathiane

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About This Item

Empirical Formula (Hill Notation):
C8H16OS
CAS Number:
67715-80-4
Molecular Weight:
160.28
FEMA Number:
3578
Council of Europe no.:
11540
MDL number:
MFCD00673203
UNSPSC Code:
12164502
PubChem Substance ID:
24901790
Flavis number:
16.030
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002

Assay

≥98%

refractive index

n20/D 1.4800 (lit.)

bp

218-220 °C (lit.)

density

0.975 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

Organoleptic

green; tropical

SMILES string

CCCC1CCOC(C)S1

InChI

1S/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3

InChI key

GKGOLPMYJJXRGD-UHFFFAOYSA-N

General description

2-Methyl-4-propyl-1,3-oxathiane (mixture of cis and trans) is the key sulfur-containing aroma and flavor compound of yellow passion fruit.

Application


  • Evolution and Correlation of cis-2-Methyl-4-propyl-1,3-oxathiane, Varietal Thiols, and Acetaldehyde during Fermentation of Sauvignon blanc Juice.: This research highlights the development and interaction of cis-2-Methyl-4-propyl-1,3-oxathiane with varietal thiols and acetaldehyde in Sauvignon blanc during fermentation, emphasizing its impact on the wine′s aroma profile (Wang et al., 2020).

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Statements

H226

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

122.0 °F - closed cup

Flash Point(C)

50 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

W357804-SAMPLE-K:
W357804-VAR-K:
W357804-100G-K:4548173979076
W357804-SAMPLE:
W357804-1KG:
W357804-1KG-K:4548173979083
W357804-100G:
W357804-25G:
W357804-25G-K:4548173979090
W357804-BULK-K:

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Certificates of Analysis (COA)

Lot/Batch Number
SHBR5520
SHBQ3815
STBK1678
STBJ8861
STBJ7717

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Identification of new sulfur-containing volatiles in yellow passionfruit (Passiflora edulis f. flavicarpa).
Engel KH & Tressl R.
Journal of Agricultural and Food Chemistry, 39(12), 2249-2252 (1991)
Identification and synthesis of two new organic sulfur compounds from the yellow passion fruit (Passiflora edulis f. flavicarpa).
Winter M, et al.
Helvetica Chimica Acta, 59(5), 1613-1620 (1976)

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