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Key Documents

W343803

Sigma-Aldrich

3-(Methylthio)-1-hexanol

≥97%, FG

Synonym(s):

3-methylsulfanylhexan-1-ol, Passiflora hexanol

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About This Item

Linear Formula:
CH3CH2CH2CH(SCH3)CH2CH2OH
CAS Number:
Molecular Weight:
148.27
FEMA Number:
3438
EC Number:
Council of Europe no.:
11548
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
12.063
NACRES:
NA.21

biological source

synthetic

Quality Level

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 & 872/2012
FDA 21 CFR 110

Assay

≥97%

refractive index

n20/D 1.4759 (lit.)

bp

61-62 °C/10 mmHg (lit.)

density

0.966 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; leafy; metallic; vegetable; sulfurous

SMILES string

CCCC(CCO)SC

InChI

1S/C7H16OS/c1-3-4-7(9-2)5-6-8/h7-8H,3-6H2,1-2H3

InChI key

JSASXSHMJYRPCM-UHFFFAOYSA-N

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Biochem/physiol Actions

Taste at 0.25-10 ppm

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

226.4 °F - closed cup

Flash Point(C)

108 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Mosciano, G.
Perfumer & Flavorist, 25, 52-52 (2000)

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