83-67-0
8 Inquiries
83-67-0
kg
2023-01-08
Custom Synthetic Chemicals,Biological Stains,Pharmaceutical Intermediates,Cosmetic Grade Chemicals,Enzyme,Nucleosides
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Product Description
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Seller Information
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Inquiry History
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DescriptionBasic Info
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Product Name:
Theobromine
Other Name:1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-;Theobromine;3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione;3,7-Dimethylxanthine;SC 15090;Teobromin;Diurobromine;Santheose;Theosalvose;Theostene;Thesal;3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione;NSC 5039;3,7-Dimethyl-3,7-dihydro-purine-2,6-dione;3,7-Dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione;3,7-Dimethylpurine-2,6-dione
CAS No.:83-67-0
Molecular Formula:C7H8N4O2
InChIKeys:InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N
Molecular Weight:180.16400
Exact Mass:180.16
EC Number:201-494-2
UNII:OBD445WZ5P
NSC Number:757407|5039
DSSTox ID:DTXSID9026132
Color/Form:Monoclinic needles (/crystalline structure is/ lamellar twining on 001 /axis/) from water|White powder or monoclinic needles
ATC Code:C - Cardiovascular system|R - Respiratory system
HScode:2933990090
Categories:
Characteristics-
PSA:
72.68000
XLogP3:-0.8
Appearance:Theobromine is an odorless white crystalline powder. Bitter taste. pH (saturated solution in water): 5.5-7. (NTP, 1992)
Density:1.5
Melting Point:357 °C
Boiling Point:Sublimes 290-295ºC
Flash Point:290-295ºC
Refractive Index:1.737
Water Solubility:slightly soluble ,
Storage Conditions:Keep container closed when not in use. Store in a cool, dry area away from incompatible substances.
Vapor Pressure:1.13X10-11 mm Hg at 25 deg C (est)
Taste:Bitter tasting alkaloid
PKA:9.9None
Henrys Law Constant:Henry's Law constant = 1.63X10-11 atm-cu m/mol at 25 °C (est)
Dissociation Constants:9.9|pKa = 9.90 /imide N/
Collision Cross Section:135.25 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|134.37 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]|131.2 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|136.9 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|131.1 Ų [M+H]+
Experimental Properties:Kb at 18 °C: 1.3X10-14; Ka 0.9X10-10|Forms salts which are decomposed by water, and compounds with bases which are more stable|White, amorphous powder; slightly saline taste; partly soluble in water. Alkaline solutions are alkaline to phenophthalein /Theobromine calcium salicylate/|White, odorless or almost odorless, hygroscopic powder. Absorbs CO2 from the air becoming completely soluble. Very soluble in water, sparingly soluble in cold alcohol; the solutions are strongly alkaline. pH about 10 /Theobromine sodium acetate/|For more Other Experimental Properties (Complete) data for 3,7-Dimethylxanthine (6 total), please visit the HSDB record page.
Air and Water Reactions:Insoluble in water.
Reactive Group:Amides and Imides
Reactivity Profile:THEOBROMINE may be sensitive to prolonged exposure to light. This chemical has weakly acidic properties, combining with bases to forms salts. It also has even weaker basic properties, combining with acids to form salts which are decomposed in aqueous solution. (NTP, 1992).
Hazard IdentificationClassification of the substance or mixture
Acute toxicity - Category 4, Oral
Eye irritation, Category 2
GHS label elements, including precautionary statements
Pictogram(s) 
Signal word Warning
Hazard statement(s) H302 Harmful if swallowed
H319 Causes serious eye irritation
Precautionary statement(s) Prevention P264 Wash ... thoroughly after handling.
P270 Do not eat, drink or smoke when using this product.
P280 Wear protective gloves/protective clothing/eye protection/face protection/hearing protection/...
Response P301+P317 IF SWALLOWED: Get medical help.
P330 Rinse mouth.
P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
Storage none
Disposal P501 Dispose of contents/container to an appropriate treatment and disposal facility in accordance with applicable laws and regulations, and product characteristics at time of disposal.
Other hazards which do not result in classification
no data available
Handling and StoragePrecautions for safe handling
Handling in a well ventilated place. Wear suitable protective clothing. Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Use non-sparking tools. Prevent fire caused by electrostatic discharge steam.
Conditions for safe storage, including any incompatibilities
Store the container tightly closed in a dry, cool and well-ventilated place. Store apart from foodstuff containers or incompatible materials.
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Seller Information
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Business Type:
Manufactory
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Main Products:
Custom Synthetic Chemicals,Biological Stains,Pharmaceutical Intermediates,Cosmetic Grade Chemicals,Enzyme,Nucleosides
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Location:
Room 308-80, building 1, 1963 Huaguan Road, Tianhe District, Guangzhou
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Payment Terms:
TT against copy of documents,D/P,L/C,D/A,O/A,100% TT in advance
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Average lead Time:
30
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Total Annual Revenue:
$5 million-$10 million
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Total Employees:
51-100
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Year of Establishment:
2021
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Inquiry History8 Inquiries
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