alpha-guaiene

guaia-1(5),11-diene

CAS: 3691-12-1 C15 H24 MW: 204.35628000 woody

Identification

Name	alpha-guaiene
IUPAC	1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene
CAS Number	3691-12-1
FDA UNII	Search
Molecular Formula	C15 H24
Molecular Weight	204.35628000
Nikkaji Number	J20.860D
CoE Number	11003

Regulatory

Physical Properties

Assay	95.00 to 100.00
Food Chemicals Codex Listed	No
Specific Gravity	0.89700 to 0.90300 @ 25.00 °C.
Pounds per Gallon - (est).	7.464 to 7.514
Refractive Index	1.49300 to 1.49900 @ 20.00 °C.
Boiling Point	281.00 to 282.00 °C. @ 760.00 mm Hg
Vapor Pressure	0.006000 mmHg @ 25.00 °C. (est)
Flash Point	232.00 °F. TCC ( 111.11 °C. )
logP (o/w)	6.602 (est)
Soluble in	alcohol

Organoleptic Properties

Odor Description

at 100.00 %.

Safety Information

Oral/Parenteral Toxicity	Not determined
Dermal Toxicity	Not determined
Inhalation Toxicity	Not determined

GHS Classification

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

Safety in Use

Category	flavor and fragrance agents
RIFM Fragrance Material Safety Assessment	Search
Recommendation for alpha-guaiene usage levels up to	2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)	1.20 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)	3900 (μg/person/day)
Threshold of Concern	1800 (μg/person/day)
Structure Class	I
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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Potential Uses

FL/FR guaiacwood

Natural Occurrence

agarwood oil @ 0.10% Data PMC armoise oil morocco @ 3.1% Data basil - trace basil absolute sweet @ 0.20% Data basil plant basil shoot oil bay laurel leaf bay laurel leaf oil burdock root callitris intratropica wood oil australia @ 0.60% Data cassinia laevis flower oil australia @ 0.30% Data cassinia laevis leaf oil australia @ 0.50% Data eucalyptus globulus bud oil @ 0.29% Data eucalyptus globulus fruit oil @ 0.39% Data galangal root oil @ 0.72% Data geranium oil rwanda @ 0.45% Data geranium rose-scented oil (pelargonium spp.) cuba @ 7.20% Data hinoki root oil @ 0.39% Data hinoki wood oil @ 0.12% Data laurel leaf oil turkey @ 0.10% Data mandarin oil uruguay @ trace% Data mango fruit - 1.5 mg/kg orange bigarade oil @ 0.42% Data patchouli oil china @ 8.82% Data pepper - trace PMC pepper black pepper fruit pepper black pepper fruit oil pepper oil black india @ 0.10% Data pinus sylvestris l. needle oil estonia @ 0.10% Data ravintsara leaf oil @ 0.37%% Data rose oil otto bulgaria @ 0.50% Data sage oil dalmatian @ 0.10% Data wormseed oil spain @ 0.24% Data wormwood oil annus france @ 2.24-14.73% Data

Synonyms

azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1S-(1a,4a,7a)]- 2,8- dimethyl-5-isopropenyl bicyclo(5.3.0)dec-1(7)-ene 1,4- dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulene 1,4- dimethyl-7-isopropenyl-delta-9,10-octahydroazulene 1,4- dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene guaia-1(5),11-diene 1(5),11- guaiadiene (-)-alpha- guaiene a- guaiene (1S-(1.alpha.,4.alpha.,7.alpha.))- 1,2,3,4,5,6,7,8- octahydro-1,4-dimethyl-7-(1-methyl ethenyl) azulene (1S,4S,7R)- 1,2,3,4,5,6,7,8- octahydro-1,4-dimethyl-7-(1-methyl ethenyl) azulene 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: Isolation and characterization of terpene synthases in cotton (Gossypium hirsutum). PubMed: Insecticidal and repellence activity of the essential oil of Pogostemon cablin against urban ants species. 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: Chemical constituents, antioxidant and antimocrobial activity of essential oil of Pogostemon paniculatus (Willd.). PubMed: Chemical diversity in the essential oil of Indian valerian (Valeriana jatamansi Jones). PubMed: Genomic organization of Î´-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: Characterization of delta-guaiene synthases from cultured cells of Aquilaria, responsible for the formation of the sesquiterpenes in agarwood. 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: Alpha-bulnesene, a PAF inhibitor isolated from the essential oil of Pogostemon cablin. PubMed: GC-MS fingerprint of Pogostemon cablin in China. PubMed: Secondary metabolites of Peucedanum tauricum fruits. 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: 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: Constituents of peppers: IV. The hydrocarbons of pepper essential oil. PubMed: [Sesquiterpene hydrocarbons from grapes (author's transl)].