Identification

Nameheptyl mercaptan
IUPACheptane-1-thiol
CAS Number1639-09-4
EINECS216-678-8
FDA UNII380ZE61GR2
Molecular FormulaC7 H16 S
Molecular Weight132.26952000
MDL NumberMFCD00004911
Nikkaji NumberJ21.665H
Beilstein1731687
CoE Number11485
XlogP33.90 (est)

Regulatory

JECFA Food Flavoring1663 heptane-1-thiol
DG SANTE Food Flavourings12.130 heptane-1-thiol
FEMA Number4259
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)1639-09-4 ; HEPTANE-1-THIOL

Physical Properties

Appearance colorless clear liquid (est)
Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.84000 to 0.84600 @ 25.00 °C.
Pounds per Gallon - (est). 6.990 to 7.040
Refractive Index 1.49700 to 1.50300 @ 20.00 °C.
Boiling Point 175.00 °C. @ 765.00 mm Hg, 57.00 to 58.00 °C. @ 10.00 mm Hg
Vapor Pressure 1.467000 mmHg @ 25.00 °C. (est)
Flash Point 115.00 °F. TCC ( 46.11 °C. )
logP (o/w) 3.989 (est)
Soluble in alcohol
Insoluble in water
Similar Items note

Organoleptic Properties

Odor Description at 0.10 % in propylene glycol.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityintraperitoneal-mouse LD50 200 mg/kg
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 heptyl mercaptan usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.037 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA)ND (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)78 (μg/person/day)
NOEL (No Observed Effect Level)0.56 (mg/kg bw per day)
Threshold of Concern1800 (μg/person/day)
Structure ClassI
baked goods0.20000
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal0.10000
cheese0.20000
chewing gum-
condiments / relishes0.10000
confectionery froastings0.20000
egg products-
fats / oils0.10000
fish products0.10000
frozen dairy0.20000
fruit ices0.20000
gelatins / puddings0.20000
granulated sugar-
gravies0.10000
hard candy0.20000
imitation dairy0.20000
instant coffee / tea-
jams / jellies-
meat products0.10000
milk products0.20000
nut products-
other grains0.10000
poultry0.10000
processed fruits0.20000
processed vegetables-
reconstituted vegetables-
seasonings / flavors0.10000
snack foods0.40000
soft candy0.20000
soups0.10000
sugar substitutes-
sweet sauces0.10000
Dairy products, excluding products of category 02.0 (01.0)0.20000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)0.10000
Edible ices, including sherbet and sorbet (03.0)0.20000
Processed fruit (04.1)0.20000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)0.20000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)0.10000
Bakery wares (07.0)0.20000
Meat and meat products, including poultry and game (08.0)0.10000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)0.10000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)0.10000
Foodstuffs intended for particular nutritional uses (13.0)0.20000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)0.10000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)0.20000
Ready-to-eat savouries (15.0)0.40000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)0.10000

BOC Sciences

Best of Chemicals Supplier

Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...

View All Website 1-631-485-4226 account@bocsci.com

Endeavour Specialty Chemicals Ltd

Expertise in high impact aroma chemicals

Endeavour Speciality Chemicals offers high-impact aroma chemicals, at small to medium scale.

View All Website +44 (0)1327 310 079 enquiries@endeavourchem.co.uk

M&U International LLC

Steady supply & demand

Meeting customers increasing demands at home as well as abroad.

View All Website 908-359-9000 sales@mu-intel.com

Penta International Corporation

Chemistry innovation

At Penta, our products and services help businesses do business better.

View All Website (973) 740-2300 lisaa@pentamfg.com

Robinson Brothers Limited

Providing Excellence in Chemistry

Award-winning UK chemical manufacturer of chemical intermediates and high-impact aroma chemicals.

View All Website +44 (0)121 553 2451 enquiries@robinsonbrothers.co.uk

Sigma-Aldrich

Complete Supply Chain

The perfect blend of products and services that bring your creativity to life.

View All Website 800-244-1173 ff@sial.com

TCI AMERICA

Moving Your Chemistry Forward

We continuously strive to advance our technology.

View All Website 1-800-423-8616 Sales-US@TCIchemicals.com;

Potential Uses

FL onion

Natural Occurrence

found in nature

Synonyms

1- heptane thiol heptane-1-thiol heptanethiol 1- heptanethiol N- heptanethiol N- heptanthiol N- heptyl mercaptan heptyl thiol N- heptylmercaptan heptylthiol mercaptan C7 1- mercaptoheptane PubMed: Negative differential resistance by molecular resonant tunneling between neutral tribenzosubporphine anchored to a Au(111) surface and tribenzosubporphine cation adsorbed on to a tungsten tip. PubMed: Cys-X scanning for expansion of active-site residues and modulation of catalytic functions in a glutathione transferase. PubMed: Efficiency enhancement of methanol/ethanol oxidation reactions on Pt nanoparticles prepared using a new surfactant, 1,1-dimethyl heptanethiol. PubMed: Olfactory perception of cysteine-S-conjugates from fruits and vegetables. PubMed: Thiol activation of a model O2-aryl diazeniumdiolate prodrug in phospholipid vesicle media. PubMed: Site-directed mutagenesis of conserved cysteine residues in NqrD and NqrE subunits of Na+-translocating NADH:quinone oxidoreductase. PubMed: Temperature modulated drug permeation through liquid crystal embedded cellulose membranes. PubMed: Chemo-enzymatic preparation of copolymeric polythioesters containing branched-chain thioether groups. PubMed: Thermoresponsive drug delivery using liquid crystal-embedded cellulose nitrate membranes. PubMed: Mechanism of oxidation of inorganic sulfur compounds by thiosulfate-grown Thiobacillus thiooxidans. PubMed: Reduced sulfur compound oxidation by Thiobacillus caldus. PubMed: Introduction of unnatural amino acids into chalcone isomerase. PubMed: Effect of Cd2+ on phosphate uptake by cadmium-resistant and cadmium-sensitive Staphylococcus aureus. PubMed: Nonpolar interactions in the modification of an essential sulfhydryl of sorbitol dehydrogenase by N-alkylmaleimides. PubMed: Antitumor activity of alkyldisulfide derivatives of 6 mercaptopurines against L-1210 leukemia. PubMed: Simultaneous inactivation of the catalytic activities of yeast glutathione reductase by N-alkylmaleimides. PubMed: The preparation of three fluorescence-labeled derivatives of testosterone. PubMed: Hydrogenase activity and the H2-fumarate electron transport system in Bacteroides fragilis. PubMed: The respiratory metabolism of Mycobacterium lepraemurium. PubMed: Inhibition of multiplication of Mycobacterium leprae by several antithyroid drugs. PubMed: Nature of the specificity of alcohol coupling to L-alanine transport into isolated membrane vesicles of a marine pseudomonad.