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1-Heptanethiol is a colorless liquid with a strong, unpleasant odor, characterized by an onion-like aroma. It has a melting point of -41.3°C, a boiling point of 177°C, and a density of 0.84 g cm-3. 1-Heptanethiol is insoluble in water and is known for its flammability.

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  • 1639-09-4 Structure
  • Basic information

    1. Product Name: 1-Heptanethiol
    2. Synonyms: 1-HEPTANETHIOL;1-HEPTYL MERCAPTAN;HEPTYL MERCAPTAN;MERCAPTAN C7;N-HEPTYL MERCAPTAN;1-heptanthiol;n-heptylthiol;Normal-heptyl mercaptan
    3. CAS NO:1639-09-4
    4. Molecular Formula: C7H16S
    5. Molecular Weight: 132.27
    6. EINECS: 216-678-8
    7. Product Categories: Alkyl Thiols;Building Blocks;Chemical Synthesis;Contact Printing;Materials Science;Micro/NanoElectronics;Organic Building Blocks;Self Assembly &Self-Assembly Materials;Sulfur Compounds;Thiols;Thiols/Mercaptans
    8. Mol File: 1639-09-4.mol
  • Chemical Properties

    1. Melting Point: -43°C
    2. Boiling Point: 173-176 °C765 mm Hg(lit.)
    3. Flash Point: 115 °F
    4. Appearance: COLOURLESS LIQUID , WITH CHARACTERISTIC ODOUR.
    5. Density: 0.862 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 1.47mmHg at 25°C
    7. Refractive Index: n20/D 1.4505(lit.)
    8. Storage Temp.: Store below +30°C.
    9. Solubility: 0.009g/l
    10. PKA: 10.76±0.25(Predicted)
    11. Explosive Limit: 0.9%(V)
    12. Sensitive: Air Sensitive
    13. BRN: 1731687
    14. CAS DataBase Reference: 1-Heptanethiol(CAS DataBase Reference)
    15. NIST Chemistry Reference: 1-Heptanethiol(1639-09-4)
    16. EPA Substance Registry System: 1-Heptanethiol(1639-09-4)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: 10
    3. Safety Statements: 23-16
    4. RIDADR: UN 3336 3/PG 3
    5. WGK Germany: 3
    6. RTECS: MJ1400000
    7. F: 9-13-23
    8. TSCA: Yes
    9. HazardClass: 6.1
    10. PackingGroup: II
    11. Hazardous Substances Data: 1639-09-4(Hazardous Substances Data)

1639-09-4 Usage

Uses

1. Used in the Chemical Industry:
1-Heptanethiol is used as a chemical intermediate for the synthesis of various organic compounds, taking advantage of its reactive thiol group and its ability to undergo a range of chemical reactions.
2. Used in the Flavor and Fragrance Industry:
1-Heptanethiol is used as a flavoring agent, particularly to impart an onion-like aroma to foods and beverages. Its high strength odor makes it suitable for use in the creation of artificial flavors at low concentrations.
3. Used in the Pharmaceutical Industry:
1-Heptanethiol can be used as a building block for the development of pharmaceutical compounds, leveraging its unique chemical properties to create new therapeutic agents.
4. Used in the Rubber Industry:
1-Heptanethiol is used as an accelerator in the vulcanization process of rubber, enhancing the speed and efficiency of rubber production.
5. Used in the Petroleum Industry:
1-Heptanethiol is employed as a corrosion inhibitor in the petroleum industry, helping to protect pipelines and storage tanks from the corrosive effects of sulfur-containing compounds.
6. Used in the Environmental Industry:
1-Heptanethiol can be used in the detection and monitoring of volatile organic compounds (VOCs) due to its strong odor and high sensitivity, making it a valuable tool in environmental protection efforts.

Reactivity Profile

1-Heptanethiol is combustible (flash point at or above 100°F and below140°F). Incompatible with oxidizing agents, strong acids and strong bases, alkali metals, and nitric acid. Can react with water, steam or acids to produce toxic and flammable vapors. Reacts violently with powerful oxidizing agents such as calcium hypochlorite(Ca(OCl)2) to generate SOx. Reacts with hydrides to form flammable H2 gas; reacts with halogenated hydrocarbons to yield HX. Reacts exothermically with aldehydes. Emits toxic compounds of sulfur when when heated to decomposition.

Potential Exposure

Used as a chemical intermediate for fuels, dyes, pharmaceuticals; and to make other chemicals.

Shipping

UN1228 Mercaptans, liquid, flammable, toxic, n.o.s. or Mercaptan mixtures, liquid, flammable, toxic, n.o.s., Hazard Class: 3; Labels: 3-Flammable liquid, 6.1-Poisonous materials, Technical Name Required.

Incompatibilities

Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explo sions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides, alkali metals and reducing agents.

Check Digit Verification of cas no

The CAS Registry Mumber 1639-09-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,6,3 and 9 respectively; the second part has 2 digits, 0 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 1639-09:
(6*1)+(5*6)+(4*3)+(3*9)+(2*0)+(1*9)=84
84 % 10 = 4
So 1639-09-4 is a valid CAS Registry Number.
InChI:InChI=1/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3

1639-09-4 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
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  • Detail
  • Alfa Aesar

  • (L07079)  1-Heptanethiol, 98%   

  • 1639-09-4

  • 25g

  • 479.0CNY

  • Detail
  • Alfa Aesar

  • (L07079)  1-Heptanethiol, 98%   

  • 1639-09-4

  • 100g

  • 1509.0CNY

  • Detail
  • Aldrich

  • (H4506)  1-Heptanethiol  98%

  • 1639-09-4

  • H4506-25G-A

  • 655.20CNY

  • Detail

1639-09-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-Heptanethiol

1.2 Other means of identification

Product number -
Other names Heptyl Mercaptan

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1639-09-4 SDS

1639-09-4Relevant articles and documents

Two-step three-component process for one-pot synthesis of 8-alkylmercaptocaffeine derivatives

Rad, M. N. Soltani,Maghsoudi

, p. 70335 - 70342 (2016/08/06)

A highly efficient, odourless and two-step three-component process for one-pot synthesis of some 8-alkylmercaptocaffeine derivatives has been described. The catalyst-free three-component reaction of alkyl bromides, thiourea, and 8-bromocaffeine gave 8-alkylmercaptocaffeine products in excellent to quantitative yields. In addition, the impact of parameters on sample reaction is discussed.

3-(2-aminophenyl)-4-methyl-1,3-thiazole-2(3H)-thione as an ecofriendly sulphur transfer agent to prepare alkanethiols in high yield and high purity

Mehdid, Mohammed Amine,Djafri, Ayada,Roussel, Christian,Andreoli, Federico

experimental part, p. 4634 - 4643 (2010/04/06)

A new process is described for preparing very pure linear alkanethiols and linear α,ω-alkanedithiols using a sequential alkylation of the title compound, followed by a ring closure to quantitatively give the corresponding 3-methyl[1,3]thiazolo[3,2-a]-[3,1

Synthesis and antifungal activities of alkyl N-(1,2,3-thiadiazole-4-carbonyl) carbamates and S-alkyl N-(1,2,3-thiadiazole-4-carbonyl) carbamothioates

Li, Zaifeng,Wu, Zengru,Luo, Fuying

, p. 3872 - 3876 (2007/10/03)

A series of alkyl N-(1,2,3-thiadiazole-4-carbonyl) carbamates and S-alkyl N-(1,2,3-thiadiazole-4-carbonyl) carbamothioates with unsubstituted or monobrominated straight chain alkyl groups were synthesized and evaluated as fungistatic agents against Gibberella zeae and Altemaria kikuchiana. These compounds showed variable antifungal activities at concentrations of 5 and 50 μg/mL The results showed that antifungal activities depended on the length of the alkyl chain with the optimal chain length of 6-11 carbons. Carbamic acid, (1,2,3-thiadiazole-4-ylcarbonyl)-, hexyl ester (4) showed a strong fungistatic activity against A. kikuchiana at both concentrations, with 90.7 and 54% growth inhibition at 50 and 5 μg/mL, respectively. Carbamic acid, (1,2,3-thiadiazole-4-ylcarbonyl)-, heptyl ester (5); Carbamic acid, (1,2,3-thiadiazole-4-ylcarbonyl)-, octyl ester (6); and Carbamic acid, (1,2,3-thiadiazole-4-ylcarbonyl)-, undecyl ester (9) showed strong fungistatic activity against G. zeae at both concentrations. Their growth inhibitions against G. zeae at the concentration of 5 μg/mL were 78, 63, and 59%, respectively.

A general and mild synthesis of thioesters and thiols from halides

Zheng, Tu-Cai,Burkart, Maureen,Richardson, David E.

, p. 603 - 606 (2007/10/03)

The conversion of a wide variety of halides to thioesters by reaction with potassium thiocetate under mild conditions is described, and the generality of the method is demonstrated.

Carbanions Derived from 2-Alkylthiobenzothiazoles. A Novel α-Lithiomethyl Mercaptan Synthon for Mercaptomethylation.

Katritzky, Alan R.,Aurrecoechea, Jose M.,Vazques de Miguel, Luis M.

, p. 769 - 774 (2007/10/02)

2-Methylthiobenzothiazole readily gives a methyl group lithio derivative which reacts cleanly with electrophiles.The products are conveniently converted into the corresponding thiols by BuLi at -78 deg C, and this sequence thus provides a convenient two-step mercaptomethylation procedure for alkyl halides, aldehydes, and ketones.

ONE POT CONVERSION OF ALKYL HALIDES INTO THIOLS UNDER MILD CONDITIONS

Molina, P.,Alajarin, M.,Vilaplana, M. J.,Katritzky, A. R.

, p. 469 - 472 (2007/10/02)

Alkyl halides are converted into the corresponding thiols in good yields at room temperature under neutral conditions by reaction with 1-(2-hydroxyethyl)-4,6-diphenylpyridine-2-thione.

Desulfuration Using Plasma Techniques, III. - Reaction of Thioethers

Suhr, Harald,Henne, Peter,Iacocca, Diodoro,Ropero, Marcos J.

, p. 441 - 446 (2007/10/02)

Plasma desulfurations were tested with nine thioethers.While aliphatic, as well as aromatic thioethers and thiophene react easily, benzothiophenes are hard to desulfurize.Predominant reaction products are low molecular alkenes and alkanes (Table 1).Addition of oxygen greatly improves the results (Table 2).

Metalation of 1,3-Dithiolanes. Mercaptan Synthesis and Carbonyl Transposition

Wilson, Stephen R.,Georgiadis, Gregory M.,Khatri, Hiralal N.,Bartmess, John E.

, p. 3577 - 3583 (2007/10/02)

The reaction of 1,3-dithiolanes with n-butyllithium results in fragmentation to the corresponding thiocarbonyl compound followed by furhter reaction with n-butyllithium.All four types of thiocarbonyl reactions are observed: reduction, S-addition, C-addition, double addition.Synthetic applications of this reaction for the synthesis of secondary mercaptans and 1,2-carbonyl transposition (23 -> 24a-c) are described.

Antimicrobial composition and method containing N-(3,5-dihalophenyl)-imide compounds

-

, (2008/06/13)

Novel N-(3,5-dihalophenyl)imide compounds, which exhibit a strong antimicrobial activity against microorganisms including phytopathogenic fungi, parasites of industrial products and pathogenic microorganisms, represented by the formula, STR1 wherein X and X' each represent halogens and A represents a substituted ethylene such as chloroethylene, C1 - C4 alkylthioethylene, C1 - C2 alkyl-ethylene or 1,2-di-C1 - C2 -alkyl-ethylene, a cyclopropylene such as 1,3-dimethylcyclopropylene, trimethylene, a cyclohexylene-1,2-, cyclohexenylene-1,2-, cyclohexadienylene-1,2- or o-phenylene. The N-(3,5-dihalophenyl)imide compounds can be obtained by any of methods which produce imide compounds or reaction of an N-(3,5-dihalophenyl)maleimide compound with a mercaptan, a hydrogen halide, phosphorus chloride or thionylchloride.

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