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Merck
CN

W357804

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
UNSPSC Code:
12164502
PubChem Substance ID:
24901790
NACRES:
NA.21
Flavis number:
16.030
MDL number:
MFCD00673203
Organoleptic:
green; tropical
Grade:
FG
Fragrance grade
Halal
Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines
meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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Product Name

2-Methyl-4-propyl-1,3-oxathiane, mixture of cis and trans, ≥98%, FG

SMILES string

CCCC1CCOC(C)S1

InChI key

GKGOLPMYJJXRGD-UHFFFAOYSA-N

InChI

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

biological source

synthetic

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

Quality Level

300
400

Related Categories

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).

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.

pictograms

Flame
GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

122.0 °F - closed cup

flash_point_c

50 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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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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