Identification

Nameguaiene
IUPAC1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene
CAS Number88-84-6
EINECS201-860-1
FDA UNII1D018Q907T
Molecular FormulaC15 H24
Molecular Weight204.35628000
Nikkaji NumberJ2.380.967B

Regulatory

JECFA Food Flavoring1347 guaiene
DG SANTE Food Flavourings01.026 1(5),7(11)-guaiadiene
FDA Mainterm (SATF)88-84-6 ; GUAIENE
FDA RegulationFDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION

Physical Properties

Appearance green yellow oily liquid (est)
Assay 96.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.91200 to 0.91800 @ 25.00 °C.
Pounds per Gallon - (est). 7.589 to 7.639
Refractive Index 1.50300 to 1.50900 @ 20.00 °C.
Optical Rotation -18.00 to -30.00
Boiling Point 123.00 to 124.00 °C. @ 9.00 mm Hg, 128.00 to 129.00 °C. @ 12.00 mm Hg
Vapor Pressure 0.006000 mmHg @ 25.00 °C. (est)
Flash Point 230.00 °F. TCC ( 110.00 °C. )
logP (o/w) 6.333 (est)
Soluble in alcohol

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Description
at 100.00 %.
SWEET, WOODY, BALSAMIC
Sweet, balsamic spicy flavor inherent guaiac wood
Odor sample from Fritzsche Dodge & Olcott, Inc.
Taste Description woody guaiacwood balsamic spicy cascarilla myrrh powdery

Safety Information

Human Experience2 % solution: no irritation or sensitization.
Oral/Parenteral Toxicityoral-rat LD50 > 5000 mg/kg
Dermal Toxicityskin-rabbit LD50 > 5000 mg/kg
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for guaiene usage levels up to2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA)3.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)3900 (μg/person/day)
Threshold of Concern1800 (μg/person/day)
Structure ClassI
Dairy products, excluding products of category 02.0 (01.0)7.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)5.00000
Edible ices, including sherbet and sorbet (03.0)10.00000
Processed fruit (04.1)7.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)10.00000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)5.00000
Bakery wares (07.0)10.00000
Meat and meat products, including poultry and game (08.0)2.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)2.00000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)5.00000
Foodstuffs intended for particular nutritional uses (13.0)10.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)5.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)10.00000
Ready-to-eat savouries (15.0)20.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)5.00000

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Vigon International

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Manufacturer and supplier of high quality flavor and fragrance ingredients.

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Potential Uses

FR amber FL/FR guaiacwood FR moss FR oriental FR patchouli FR spice FR vetiver FR woody

Natural Occurrence

artemisia campestris spp. glutinosa flower oil italy @ 0.40% Data artemisia variabilis flower oil italy @ trace% Data cajuput oil vietnam @ 0.3% Data calamus leaf oil @ 0.80% Data calamus rhizome oil @ 0.90% Data calamus root oil @ 0.11% Data cinnamon fruit oil india @ 0.4% Data hinoki leaf oil @ 0.30% Data lemon balm shoot patchouli oil pepper tree berry oil @ 0.22% Data pepper tree leaf oil @ trace% Data valerian root oil CO2 extract china @ 0.23% Data

Synonyms

azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethylidene)-, (1S-cis)- azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethylidene)-, (1S,4S)- 2,8- dimethyl-5-isopropylidene-bicyclo(5.3.0)dec-1(7)-ene 1,4- dimethyl-7-(propan-2-ylidene)-1,2,3,4,5,6,7,8-octahydroazulene 1,4- dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene guaia-1(5),7(11)-diene 1(5),7(11)- guaiadiene .beta.- guaiene beta- guaiene guaiene natural beta- guajene (1S,4S)-1,2,3,4,5,6,7,8- octahydro-1,4-dimethyl-7-(1-methyl ethylidene) azulene 1,2,3,4,5,6,7,8- octahydro-1,4-dimethyl-7-(1-methyl ethylidene) azulene 1,2,3,4,5,6,7,8- octahydro-1,4-dimethyl-7-(1-methylethylidene)-azulene, (1S,cis) (1S-cis)-1,2,3,4,5,6,7,8- octahydro-7-isopropylidene-1,4-dimethyl azulene (1S-cis)-1,2,3,4,5,6,7,8- octahydro-7-isopropylidene-1,4-dimethylazulene PubMed: Antioxidant Activity of Essential Oil and Extracts of Valeriana jatamansi Roots. PubMed: [Study of production of sesquiterpenes of Aquilaria senensis stimulated by Lasiodiplodia theobromae]. PubMed: [Analysis of volatile composition of different specification of Panax notoginseng]. PubMed: Anti-inflammatory guaiane-type sesquiterpenes from the fruits of Pittosporum undulatum. PubMed: Transcriptome Analysis of Thapsia laciniata Rouy Provides Insights into Terpenoid Biosynthesis and Diversity in Apiaceae. PubMed: Insecticidal and repellence activity of the essential oil of Pogostemon cablin against urban ants species. PubMed: Identification of genes related to agarwood formation: transcriptome analysis of healthy and wounded tissues of Aquilaria sinensis. PubMed: Virtual screening of compounds from the patchouli oil of Pogostemon herba for COX-1 inhibition. PubMed: Quantitative and physical evaluation of patchouli essential oils obtained from different sources of Pogostemon cablin. PubMed: Essential oil of Azorella cryptantha collected in two different locations from San Juan Province, Argentina: chemical variability and anti-insect and antimicrobial activities. PubMed: [Study on chemical constituents of the Ixeris chinensis]. PubMed: Antioxidant and antiproliferative activity of Hypericum hircinum L. subsp. majus (Aiton) N. Robson essential oil. PubMed: In vivo antidepressant activity of sesquiterpenes from the roots of Valeriana fauriei Briq. PubMed: Chemical constituents, antioxidant and antimocrobial activity of essential oil of Pogostemon paniculatus (Willd.). PubMed: Chemical composition of leaf and root essential oils of Boenninghausenia albiflora Reichb. from northern India. PubMed: Chemical diversity in the essential oil of Indian valerian (Valeriana jatamansi Jones). PubMed: Phytochemical investigation and antifeedant activity of Premna latifolia leaves. PubMed: A comparison of headspace solid-phase microextraction and classic hydrodistillation for the identification of volatile constituents from Thapsia spp. provides insights into guaianolide biosynthesis in Apiaceae. PubMed: Genomic organization of δ-guaiene synthase genes in Aquilaria crassna and its possible use for the identification of Aquilaria species. PubMed: Chemical composition of volatile oils of Aquilaria malaccensis (Thymelaeaceae) from Malaysia. PubMed: Oil constituents of Artemisia nilagirica var. septentrionalis growing at different altitudes. PubMed: [Morphology, anatomy, ontogeny and chemical composition of inflorescences volatile secondary metabolites of Lippia alba (Verbenaceae) at three stages of development]. PubMed: Geranium macrorrhizum L. (Geraniaceae) essential oil: a potent agent against Bacillus subtilis. PubMed: Characterization of delta-guaiene synthases from cultured cells of Aquilaria, responsible for the formation of the sesquiterpenes in agarwood. PubMed: Antibacterial properties of essential oils and methanol extracts of sweet basil Ocimum basilicum occurring in Bangladesh. PubMed: Doubly deuterium-labeled patchouli alcohol from cyclization of singly labeled [2-(2)H(1)]farnesyl diphosphate catalyzed by recombinant patchoulol synthase. PubMed: Chemical composition and antimicrobial activity of the essential oil of Anaphalis nubigena var. monocephala. PubMed: The main chemical composition and in vitro antifungal activity of the essential oils of Ocimum basilicum Linn. var. pilosum (Willd.) Benth. PubMed: Essential Oil Composition and Antibacterial Studies of Vitex negundo Linn. Extracts. PubMed: Microbial transformation of (-)-guaiol and antibacterial activity of its transformed products. PubMed: Alpha-bulnesene, a PAF inhibitor isolated from the essential oil of Pogostemon cablin. PubMed: Syntheses of (+)-alismoxide and (+)-4-epi-alismoxide. PubMed: Isolation of Seseli bocconi Guss., subsp. praecox Gamisans (Apiaceae) volatile oil by supercritical carbon dioxide extraction. PubMed: GC-MS fingerprint of Pogostemon cablin in China. PubMed: Secondary metabolites of Peucedanum tauricum fruits. PubMed: Application of multidimensional gas chromatography to the enantioselective characterisation of the essential oil of Eupatorium buniifolium Hooker et Arnott. PubMed: Analysis by gas chromatography-mass spectrometry of the essential oil from the aerial parts of Pimpinella junoniae Ceb. & Ort., gathered in La Gomera, Canary Islands, Spain. PubMed: [Two chemotypes of Pogostemon cablin and influence of region of cultivation and harvesting time on volatile oil composition]. PubMed: Essential oil from fruit of Peucedanum tauricum Bieb. PubMed: [Constituents analysis on volatile oil of Pogostemon cablin from different collection time cultivated in Hainan]. PubMed: [GC-MS analysis of volatile oil of Herba Pogostemonis collected from Leizhou county]. PubMed: [GC-MS analysis of volatile oil of herba Pogostemonis collected from Gaoyao county]. PubMed: [Study on the chemical constituents of the volatile oil from Lysimachia trientaloides Hemsl]. PubMed: Aroma compound analysis of Piper nigrum and Piper guineense essential oils from Cameroon using solid-phase microextraction-gas chromatography, solid-phase microextraction-gas chromatography-mass spectrometry and olfactometry. PubMed: Advantages of soxflo extractions for phytochemical analysis and bioassay screening. 1. Terpenoids. PubMed: Phytotoxicity and volatile constituents from leaves of Callicarpa japonica Thunb. PubMed: Behavioral response of femaleHelicoverpa (Heliothis)armigera HB. (Lepidoptera: Noctuidae) moths to synthetic pigeonpea (Cajanus cajan L.) kairomone. PubMed: [Studies on the chemical components and anti-tumour action of the volatile oils from Pelargonium graveoleus]. PubMed: [The by-products in the selenium dehydrogenation of guaiene (author's transl)]. PubMed: Constituents of peppers: IV. The hydrocarbons of pepper essential oil. PubMed: [Sesquiterpene hydrocarbons from grapes (author's transl)].