Articles:
S-guaiazulene
Notes:
Obt. from essential oils, e.g. chamomile oil
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TCI AMERICA Moving Your Chemistry Forward We continuously strive to advance our technology. Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 60 years of synthesis experience and multi-purpose plants enable TCI to offer more than 27,000 products as well as custom synthesis. TCI established overseas facilities in North America, Europe, China and India to serve customers worldwide. Email: Sales US Email: Sales Email: Global Business Voice: +81-3-5640-8878 Fax: +81-3-5640-8902 US Voice: 800-423-8616 US Fax: 888-520-1075 Tokyo Tel: 03-5640-8851 Tokyo Fax: 03-5640-8865 Facebook Twitter Instagram Linkedin RSS Product(s): G0228 Guaiazulene >99.0%(GC)
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Vigon International, Inc. Passion for Simplicity Manufacturer and supplier of high quality flavor and fragrance ingredients. The growth and success of Vigon is due in large part to a unique corporate concept that Vigon has developed and established within the industry: Creative Partnerships. This partnership concept has been and continues to be the foundation and guiding principle for all of Vigon's activities. US Email: Sales US Voice: 570-476-6300 US Fax: 570-476-1110 Facebook Twitter Linkedin Newsletter Blog Products List: View Product(s): 504145 Azulene Crystal (1,4-Dimethyl-7-Isopropylazulene) 504146 Azulene 25% Water Soluble
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| 1,4-dimethyl-7-propan-2-ylazulene (Click)
IUPAC Name: 1,4-dimethyl-7-propan-2-ylazulene
Std.InChI: InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3
InChI: InChI=1/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3
Std.InChIKey: FWKQNCXZGNBPFD-UHFFFAOYSA-N
InChIKey: FWKQNCXZGNBPFD-UHFFFAOYAG
SMILES: CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C
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| CAS Number: | 489-84-9 | 
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| Other: | 12040-47-0 | |
| ECHA EINECS - REACH Pre-Reg: | 207-701-2 | |
| FDA UNII: | 2OZ1K9JKQC | |
| Nikkaji Web: | J11.635A | |
| Beilstein Number: | 1365001 | |
| MDL: | MFCD00003811 | |
| XlogP3-AA: | 4.80 (est) | |
| Molecular Weight: | 198.30846000 | |
| Formula: | C15 H18 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: cosmetic, flavor and fragrance agents
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 |
| FDA Mainterm: | Guaiazulene |
| FDA Regulation: | |
| FDA PART 73-LISTING OF COLOR ADDITIVES EXEMPT FROM CERTIFICATION Subpart C-Cosmetics Sec. 73.2180 Guaiazulene. | |
Physical Properties:
| Appearance: | white solid (est) |
| Assay: | 97.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.97600 @ 25.00 °C. |
| Melting Point: | 31.00 to 33.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 152.00 to 154.00 °C. @ 7.00 mm Hg |
| Boiling Point: | 304.00 to 305.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.001000 mm/Hg @ 25.00 °C. (est) |
| Flash Point: | 288.00 °F. TCC ( 142.22 °C. ) |
| logP (o/w): | 5.590 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.1115 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
antimicrobial agents perfuming agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Guaiazulene MP 30-31.5deg |
| Diffusions Aromatiques |
| GUAIAZULENE |
| ExtraSynthese |
| For experimental / research use only. |
| Guaiazulene (GC) ≥90% |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Guaiazulene |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Guaiazulene 99% |
| Sinoway Industrial |
| For experimental / research use only. |
| Guaiazulene |
| TCI AMERICA |
| For experimental / research use only. |
| Guaiazulene >99.0%(GC) |
| Vigon International |
| Azulene 25% Water Soluble |
| Vigon International |
| Azulene Crystal (1,4-Dimethyl-7-Isopropylazulene) |
Safety Information:
| Preferred SDS: View | |
| 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: | |
|
intraperitoneal-mouse LD50 525 mg/kg PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: ATAXIA Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 54, Pg. 362, 1958. oral-mouse LD50 1220 mg/kg LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: ATAXIA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 54, Pg. 362, 1958. oral-rat LD50 1550 mg/kg Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 615, 1969. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | cosmetic, flavor and fragrance agents | ||
Safety References:
| EPI System: | View |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 489-84-9 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 3515 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 1,4-dimethyl-7-propan-2-ylazulene | |
| Chemidplus: | 0000489849 |
| RTECS: | CO4790000 for cas# 489-84-9 |
References:
| 1,4-dimethyl-7-propan-2-ylazulene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 489-84-9 |
| Pubchem (cid): | 3515 |
| Pubchem (sid): | 134976281 |
| Pherobase: | View |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2009 | |
| (IUPAC): | Atomic Weights of the Elements 2009 (pdf) | |
| Videos: | The Periodic Table of Videos | |
| tgsc: | Atomic Weights use for this web site | |
| (IUPAC): | Periodic Table of the Elements | |
| CHEBI: | View | |
| CHEMBL: | View | |
| KEGG (GenomeNet): | C09675 | |
| HMDB (The Human Metabolome Database): | HMDB36648 | |
| FooDB: | FDB015573 | |
| Export Tariff Code: | 2902.90.9000 | |
| Household Products: | Search | |
| Typical G.C. | ||
| VCF-Online: | VCF Volatile Compounds in Food | |
| ChemSpider: | View | |
| Wikipedia: | View | |
| RSC Learn Chemistry: | View | |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| boldus leaf oil chile @ 8.80% Data GC Search Trop Picture | |
| callitris intratropica wood oil australia @ 6.20% Data GC Search Trop Picture | |
| cedarwood oil lebanon @ 0.10% Data GC Search Trop Picture | |
| chamomile sweet false chamomile flower Search Trop Picture | |
| fig root Search Trop Picture | |
| star fruit oil cuba @ 0.10% Data GC Search Trop Picture |
Synonyms:
| azulene, 1,4-dimethyl-7-(1-methylethyl)- | |
| azulene, 1,4-dimethyl-7-isopropyl- | |
| azulene, 7-isopropyl-1,4-dimethyl- | |
| cuteazul | |
| 3,8- | dimethyl-5-(2-propyl) azulene |
| 3,8- | dimethyl-5-(2-propyl)azulene |
| 1,4- | dimethyl-7-(1-methyl ethyl) azulene |
| 1,4- | dimethyl-7-(1-methylethyl)azulene |
| 1,4- | dimethyl-7-(methylethyl)azulene |
| 1,4- | dimethyl-7-(propan-2-yl)azulen |
| 1,4- | dimethyl-7-(propan-2-yl)azulene |
| 1,4- | dimethyl-7-isopropyl azulene |
| 1,4- | dimethyl-7-isopropylazulene |
| 1,4- | dimethyl-7-propan-2-ylazulene |
| eucazulen | |
| guaiazulene | |
| S- | guaiazulene |
| guajazulene | |
| guiazulene | |
| gurjunazulen | |
| kessazulen | |
| 7-iso | propyl-1,4-dimethyl azulene |
| 7-iso | propyl-1,4-dimethyl-azulene |
| 7-iso | propyl-1,4-dimethylazulen |
| 7-iso | propyl-1,4-dimethylazulene |
| purazulen | |
| silazulon | |
| uroazulen | |
| vaumigan | |
| vetivazulen | |
| vetivazulene |