ChemicalBook--->CAS DataBase List--->1639-09-4

1639-09-4

1639-09-4 Structure

1639-09-4 Structure
IdentificationMore
[Name]

1-Heptanethiol
[CAS]

1639-09-4
[Synonyms]

1-HEPTANETHIOL
1-HEPTYL MERCAPTAN
HEPTYL MERCAPTAN
MERCAPTAN C7
N-HEPTYL MERCAPTAN
1-heptanthiol
heptane-1-thiol
heptanethiol(non-specificname)
heptanethiolnormal
Heptyl thiol
heptylmercaptan(non-specificname)
heptylmercaptannormal
n-heptanethiol
n-heptylthiol
Normal-heptyl mercaptan
USAF ek-2122
usafek-2122
Heptanethiol
1-HEPTANETHIOL,97%
1-HEPTANETHIOL 98%
[EINECS(EC#)]

216-678-8
[Molecular Formula]

C7H16S
[MDL Number]

MFCD00004911
[Molecular Weight]

132.27
[MOL File]

1639-09-4.mol
Chemical PropertiesBack Directory
[Appearance]

1-Heptanethiol is a flammable, colorless liquid with a strong odor.
[Melting point ]

-43°C
[Boiling point ]

173-176 °C/765 mmHg (lit.)
[density ]

0.862 g/mL at 25 °C(lit.)
[vapor pressure ]

1.5 hPa ( 25 °C)
[FEMA ]

4259 | HEPTANE-1-THIOL
[refractive index ]

n20/D 1.4505(lit.)
[Fp ]

115 °F
[storage temp. ]

Store below +30°C.
[solubility ]

0.009g/l
[form ]

clear liquid
[pka]

10.76±0.25(Predicted)
[color ]

Colorless to Almost colorless
[Odor]

at 0.10 % in propylene glycol. sulfurous onion
[biological source]

synthetic
[explosive limit]

0.9%(V)
[Odor Type]

sulfurous
[Water Solubility ]

0.009g/L
[Sensitive ]

Air Sensitive
[JECFA Number]

1663
[BRN ]

1731687
[Exposure limits]

NIOSH: Ceiling 0.5 ppm(2.7 mg/m3)
[Major Application]

flavors and fragrances
[InChI]

1S/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
[InChIKey]

VPIAKHNXCOTPAY-UHFFFAOYSA-N
[SMILES]

CCCCCCCS
[LogP]

3.91
[CAS DataBase Reference]

1639-09-4(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Heptanethiol(1639-09-4)
[EPA Substance Registry System]

1639-09-4(EPA Substance)
Safety DataBack Directory
[Risk Statements ]

R10:Flammable.
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
[OEL]

Ceiling: 0.5 ppm (2.7 mg/m3) [15-minute]
[RIDADR ]

UN 3336 3/PG 3
[WGK Germany ]

3
[RTECS ]

MJ1400000
[F ]

9-13-23
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29309070
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

6-n-Heptylmercaptopurine
Hazard InformationBack Directory
[General Description]

Colorless liquid with a strong unpleasant odor. Mp:-41.3°C; bp: 177°C. Density: 0.84 g cm-3. Insoluble in water.
[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.
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, includ ing resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medi cal attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit.
[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.
[Description]

1-Heptanethiol is a flammable, colorless liquidwith a strong odor. Molecular weight= 132.29; Boilingpoint= 176℃; Freezing/Melting point= -439C; Flashpoint = 46℃. Insoluble in water.
[Chemical Properties]

1-Heptanethiol is a flammable, colorless liquid with a strong odor.
[Chemical Properties]

clear liquid
[Chemical Properties]

Colorless liquid, onion aroma.
[Waste Disposal]

Dissolve or mix the material with a combustible solvent and burn in a chemical incinera tor equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
[Definition]

ChEBI: Heptane-1-thiol is an alkanethiol.
[Aroma threshold values]

High strength odor, sulfurous onion type; recommend smelling in a 0.10% solution or less.
[storage]

Color Code- Red: Flammability Hazard: Store ina flammable liquid storage area or approved cabinet away from ignition sources and corrosive and reactive materials.Prior to working with this chemical you should be trainedon its proper handling and storage. Store in tightly closedcontainers in a cool, well-ventilated area. Metal containersinvolving the transfer of this chemical should be groundedand bonded. Where possible, automatically pump liquidfrom drums or other storage containers to process contain-ers. Drums must be equipped with self-closing valves,pressure vacuum bungs, and flame arresters. Use only non-sparking tools and equipment, especially when opening andclosing containers of this chemical. Sources of ignition,such as smoking and open flames, are prohibited where thischemical is used, handled, or stored in a manner that couldcreate a potential fire or explosion hazard. W herever thischemical is used, handled, manufactured, or stored, useexplosion-proof electrical equipment and fittings.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Heptanethiol(1639-09-4).msds
Spectrum DetailBack Directory
[Spectrum Detail]

1-Heptanethiol(1639-09-4)1HNMR
1-Heptanethiol(1639-09-4)13CNMR
1-Heptanethiol(1639-09-4)IR1
1-Heptanethiol(1639-09-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1-Heptanethiol, 98%(1639-09-4)
[Sigma Aldrich]

1639-09-4(sigmaaldrich)
[TCI AMERICA]

1-Heptanethiol,>96.0%(GC)(1639-09-4)
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