isoquinoline
benzo(c)pyridine
 
Notes:
Flavouring agent Being an analog of pyridine, isoquinoline is a weak base, with a pKb of 8.6. It protonates to form salts upon treatment with strong acids, such as HCl. It forms adducts with Lewis acids, such as BF3.; Isoquinoline is a colorless hygroscopic liquid at room temperature with a penetrating, unpleasant odor. Impure samples can appear brownish, as is typical for nitrogen heterocycles. It crystallizes platelets that have a low solubility in water but dissolve well in ethanol, acetone, diethyl ether, carbon disulfide, and other common organic solvents. It is also soluble in dilute acids as the protonated derivative.; Isoquinoline is a heterocyclic aromatic organic compound. It is a structural isomer of quinoline. Isoquinoline and quinoline are benzopyridines, which are composed of a benzene ring fused to a pyridine ring. In a broader sense, the term isoquinoline is used to make reference to isoquinoline derivatives. 1-Benzylisoquinoline is the structural backbone in naturally occurring alkaloids including papaverine and morphine. The isoquinoline ring in these natural compound derives from the aromatic amino acid tyrosine.
  • Beijing Lys Chemicals
    • Beijing Lys Chemicals Co, LTD.
      From Grams to Tons
      Fine chemical high-tech company which contains R&D, production, and sales.
      BEIJING LYS CHEMICALS CO, LTD, established in 2004, is a fine chemical high-tech company which contains R&D, production, and sales. We mainly engaged in export and technology development of flavor and fragrance materials and pharmaceutical intermediates. We have nearly 500 kinds of products, from grams to tons, exported to USA, Europe, South Asia and etc. And we custom manufacture new products according to customers’ needs, and serve good quality products and service. Our goal is to become a fine chemical enterprise which could provide special products and services.
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      10354 isoquinoline
       
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    • BOC Sciences
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    • Penta International Corporation
      Chemistry innovation
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      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      09-62000 ISOQUINOLINE
       
  • Synerzine
    • Synerzine, Inc.
      Innovation. Customization. Aroma Ingredients.
      Synerzine is a leading supplier of flavor and fragrance ingredients.
      Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust.
      Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster.
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      W0919 isoQuinoline
       
  • TCI AMERICA
    • TCI AMERICA
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      We continuously strive to advance our technology.
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      I0182 isoQuinoline >95.0%(GC)
       
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    • Tianjin Danjun International Trade Co., LTD.
      Quality Products
      We know the Chinese chemical market well.
      Tianjin danjun international trade co., LTD. is an organic chemicals trading company approved by the relevant state authorities to register. We have about 300 kinds of products (natural aroma chemicals, synthetic aroma chemicals and pharmaceutical intermediates). Most of the products are used in flavor and fragrance industry. We know the Chinese chemical market well and we have close relationship with many of the main manufacturers, and to provide our customers with quality goods together with comprehensive service.
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  • WholeChem
    • WholeChem, LLC
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Synonyms   Articles   Notes   Search
CAS Number: 119-65-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 204-341-8
FDA UNII: JGX76Y85M6
Nikkaji Web: J43.394B
Beilstein Number: 0107549
MDL: MFCD00006898
CoE Number: 487
XlogP3: 2.10 (est)
Molecular Weight: 129.16179000
Formula: C9 H7 N
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents and adjuvants
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1303  isoquinoline
DG SANTE Food Flavourings: 14.001  isoquinoline
FEMA Number: 2978 isoquinoline
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):119-65-3 ; ISOQUINOLINE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Physical Properties:
Appearance: colorless crystals (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.09700 to 1.10300 @  25.00 °C.
Pounds per Gallon - (est).: 9.128 to  9.178
Refractive Index: 1.62100 to 1.62700 @  20.00 °C.
Melting Point: 27.00 to  29.00 °C. @ 760.00 mm Hg
Boiling Point: 242.00 to  243.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.051000 mmHg @ 25.00 °C. (est)
Flash Point: 225.00 °F. TCC ( 107.22 °C. )
logP (o/w): 2.080
Soluble in:
 alcohol
 water, 1551 mg/L @ 25 °C (est)
 water, 4520 mg/L @ 25 °C (exp)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: balsamic
 
 sweet  balsamic  herbal  almond bitter almond  anise  
Odor Description:
at 0.10 % in triacetin. 
sweet balsam herbal benzaldehyde anise
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Beijing Lys Chemicals
isoquinoline
BOC Sciences
For experimental / research use only.
isoQuinoline
Penta International
ISOQUINOLINE
Santa Cruz Biotechnology
For experimental / research use only.
isoQuinoline
Sigma-Aldrich: Aldrich
For experimental / research use only.
Isoquinoline 97%
Synerzine
isoQuinoline
TCI AMERICA
For experimental / research use only.
isoQuinoline >95.0%(GC)
Tianjin Danjun International
Isoquinoline
WholeChem
Isoquinoline
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
R 34 - Causes burns.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 28 - After contact with skin, wash immediately with plenty of water.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50  360 mg/kg
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

parenteral-frog LDLo  1000 mg/kg
"Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 695, 1948.

Dermal Toxicity:
skin-rabbit LD50 590 ul/kg
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

subcutaneous-rabbit LDLo 1000 mg/kg
"Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 695, 1948.

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents and adjuvants
Recommendation for isoquinoline usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.07 (μg/capita/day)
Structure Class: III
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: 0.004001.00000
beverages(nonalcoholic): -0.25000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.25000
fruit ices: -0.25000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -1.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): --
Fats and oils, and fat emulsions (type water-in-oil) (02.0): -1.00000
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.02500-
Chewing gum (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): 0.25000-
Meat and meat products, including poultry and game (08.0): --
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): --
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.09000-
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): --
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Safety References:
European Food Safety Athority(EFSA): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Flavouring Group Evaluation 77 (FGE77) [1] - Consideration of Pyridine, Pyrrole and Quinoline Derivatives evaluated by JECFA (63rd meeting) structurally related to Pyridine, Pyrrole, Indole and Quinoline Derivatives evaluated by EFSA in FGE.24Rev1 (2008)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 77, Revision 2 (FGE.77Rev2): Consideration of Pyridine, Pyrrole and Quinoline Derivatives evaluated by JECFA (63rd meeting) structurally related to Pyridine, Pyrrole, Indole and Quinoline Derivatives evaluated by EFSA in FGE.24Rev2 (2013)
View page or View pdf
Scientific opinion on flavouring group evaluation 77, revision 3 (FGE.77Rev3): consideration of pyridine, pyrrole and quinoline derivatives evaluated by JECFA (63rd meeting) structurally related to pyridine, pyrrole, indole and quinoline derivatives evaluated by EFSA in FGE.24Rev2
View page or View pdf
EPI System: View
Chemical Carcinogenesis Research Information System: Search
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA GENetic TOXicology: Search
EPA Substance Registry Services (TSCA): 119-65-3
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 8405
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 2811
WGK Germany: 2
 isoquinoline
Chemidplus: 0000119653
RTECS: NW6825000 for cas# 119-65-3
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References:
 isoquinoline
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 119-65-3
Pubchem (cid): 8405
Pubchem (sid): 134974556
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS): View
CHEBI: View
CHEMBL: View
KEGG (GenomeNet): C06323
HMDB (The Human Metabolome Database): HMDB34244
FooDB: FDB012557
Export Tariff Code: 2933.49.1500
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
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Potential Blenders and core components note
 
For Odor
anisic
ortho-acetanisoleFL/FR
ortho-anisaldehydeFL/FR
balsamic
2-acetyl furanFL/FR
 bornyl formateFL/FR
isobornyl isobutyrateFL/FR
isobornyl phenyl acetateFL/FR
 frankincense absoluteFL/FR
bready
 furfuralFL/FR
buttery
3,4-hexane dioneFL/FR
camphoreous
 camphor tree bark oilFL/FR
chocolate
 chocolate pyrazine AFL/FR
2-methoxy-3-methyl pyrazineFL/FR
floral
 acetophenoneFL/FR
 benzyl acetoneFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
 linalool oxide (furanoid)FL/FR
 magnolia flower oil CO2 extractFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
fruity
bitter almond oilFL/FR
 benzaldehydeFL/FR
 benzaldehyde glycrol acetalFL/FR
2-benzofuran carboxaldehydeFL/FR
 bread thiopheneFL/FR
 cyclohexyl cinnamateFL/FR
4-ethyl benzaldehydeFL/FR
3-methyl-2-butenalFL/FR
 tolualdehyde glyceryl acetalFL/FR
green
holy basil leaf oilFL/FR
 benzaldehyde dimethyl acetalFL/FR
 heptyl benzoateFL/FR
 phenyl acetaldehyde diethyl acetalFL/FR
herbal
 rosemary absoluteFL/FR
 rosemary oil africaFL/FR
 rosemary oil corsicaFL/FR
 rosemary oil tunisiaFL/FR
honey
 methyl phenyl acetateFL/FR
 phenyl pyruvic acidFL/FR
naphthyl
2,4-dimethyl benzaldehydeFL/FR
3,5-cocoa pyrazineFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-ethoxypyrazineFL/FR
phenolic
2'-hydroxyacetophenoneFL/FR
 methyl benzoateFL/FR
powdery
 dibenzyl ketoneFL/FR
woody
 spruce needle oil canadaFL/FR
 
For Flavor
 
No flavor group found for these
holy basil leaf oilFL/FR
 bornyl formateFL/FR
isobornyl phenyl acetateFL/FR
 chocolate pyrazine AFL/FR
 chocolate pyrazine BFL
4-ethyl benzaldehydeFL/FR
5-ethyl-2-thiophene carboxaldehydeFL
 heptyl benzoateFL/FR
2-hexenalFL
 linalool oxide (furanoid)FL/FR
 magnolia flower oil CO2 extractFL/FR
4-methyl salicylaldehydeFL
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-ethoxypyrazineFL/FR
 phenyl acetaldehyde diethyl acetalFL/FR
 tolualdehyde glyceryl acetalFL/FR
anisic
ortho-anisaldehydeFL/FR
balsamic
isobornyl isobutyrateFL/FR
bitter
 dibenzyl ketoneFL/FR
brown
 furfuralFL/FR
buttery
3,4-hexane dioneFL/FR
camphoreous
 camphor tree bark oilFL/FR
 rosemary oil tunisiaFL/FR
floral
 methyl phenyl acetateFL/FR
fruity
bitter almond oilFL/FR
 benzaldehydeFL/FR
 benzaldehyde glycrol acetalFL/FR
 benzyl acetoneFL/FR
 bread thiopheneFL/FR
 cherry laurel oilFL
 cyclohexyl cinnamateFL/FR
2,4-hexadien-1-olFL
3-methyl-2-butenalFL/FR
green
 benzaldehyde dimethyl acetalFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
herbal
 rosemary absoluteFL/FR
 rosemary oil africaFL/FR
 rosemary oil corsicaFL/FR
medicinal
 frankincense absoluteFL/FR
naphthyl
2,4-dimethyl benzaldehydeFL/FR
2'-hydroxyacetophenoneFL/FR
nutty
2-acetyl furanFL/FR
2-benzofuran carboxaldehydeFL/FR
3,5-cocoa pyrazineFL/FR
3,5(6)-cocoa pyrazineFL
2-methoxy-3-methyl pyrazineFL/FR
phenolic
 methyl benzoateFL/FR
 phenyl pyruvic acidFL/FR
powdery
ortho-acetanisoleFL/FR
 acetophenoneFL/FR
 powdery ketoneFL
woody
 spruce needle oil canadaFL/FR
 
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Potential Uses:
 balsamFR
 herbalFL
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Occurrence (nature, food, other): note
 bonito dried bonito
Search  PMC Picture
 coal tar
Search  PMC Picture
 milk
Search  PMC Picture
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Synonyms:
2-benzazine
 benzo(c)pyridine
3,4-benzopyridine
 leucoline
2-azanaphthalene
beta-quinoline
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