2-mercapto-4-heptanol

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(±)-2-mercaptoheptan-4-ol

CAS: 1006684-20-3 C7 H16 O S MW: 148.26872000 fruity

Identification

Name2-mercapto-4-heptanol
IUPAC2-sulfanylheptan-4-ol
CAS Number1006684-20-3
FDA UNIIZO97K19VRJ
Molecular FormulaC7 H16 O S
Molecular Weight148.26872000

Regulatory

DG SANTE Food Flavourings12.305 2-mercapto-4-heptanol
FEMA Number4733
FDANo longer provide for the use of these seven synthetic flavoring substances

Physical Properties

Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.88800 to 1.00800 @ 25.00 °C.
Pounds per Gallon - (est). 7.389 to 8.388
Refractive Index 1.47050 to 1.47450 @ 20.00 °C.
Soluble in alcohol
Insoluble in water

Organoleptic Properties

Taste Description fruity tropical guava watercress vegetal

Safety Information

Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavoring agents
Recommendation for 2-mercapto-4-heptanol usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.12 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)56 (μg/person/day)
Threshold of Concern540 (μg/person/day)
Structure ClassII
baked goods0.08000
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum0.10000
condiments / relishes-
confectionery froastings-
egg products-
fats / oils0.06000
fish products-
frozen dairy-
fruit ices-
gelatins / puddings-
granulated sugar-
gravies0.06000
hard candy0.06000
imitation dairy-
instant coffee / tea0.06000
jams / jellies0.05000
meat products0.06000
milk products-
nut products-
other grains-
poultry-
processed fruits0.06000
processed vegetables0.06000
reconstituted vegetables0.06000
seasonings / flavors0.06000
snack foods0.06000
soft candy-
soups0.06000
sugar substitutes-
sweet sauces0.05000
Dairy products, excluding products of category 02.0 (01.0)-
Fats and oils, and fat emulsions (type water-in-oil) (02.0)0.06000
Edible ices, including sherbet and sorbet (03.0)-
Processed fruit (04.1)0.23000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)0.23000
Confectionery (05.0)0.06000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)-
Bakery wares (07.0)0.14000
Meat and meat products, including poultry and game (08.0)0.06000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)-
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)0.23000
Foodstuffs intended for particular nutritional uses (13.0)-
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)0.06000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)-
Ready-to-eat savouries (15.0)-
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)0.10000

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Potential Uses

None Found

Natural Occurrence

found in nature

Synonyms

(±)-2- mercaptoheptan-4-ol 4- heptanol, 2-mercapto- 2- sulfanyl-4-heptanol 2- sulfanylheptan-4-ol 2- thioheptan-4-ol PubMed: Influence of the stereochemistry on the sensory properties of 4-mercapto-2-heptanol and its acetyl-derivatives. PubMed: New cysteine-S-conjugate precursors of volatile sulfur compounds in bell peppers (Capsicum annuum L. cultivar).