| Fragrance Demo Formulas |
| Name: | 1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene |
| CAS Number: | 88-84-6 |  3D/inchi
|
| Other(deleted CASRN): | 34766-41-1 |
| ECHA EINECS - REACH Pre-Reg: | 201-860-1 |
| FDA UNII: | 1D018Q907T |
| Nikkaji Web: | J2.380.967B |
| XlogP3-AA: | 4.10 (est) |
| Molecular Weight: | 204.35628000 |
| Formula: | C15 H24 |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
| EFSA/JECFA Comments: |
| EFSA conclusion: additional data required (EFSA, 2009j).
Stereoisomeric composition specified by CASrn and name in Register. According to the JECFA: Min. assay value is "96 %" and "may include traces of other C15H24 compounds (cadinene, farnesene, valencene)". Composition of mixture to be specified.
Stereoisomeric composition specified by CASrn and name in Register. According to the JECFA: Min. assay value is ”96 %” and ”may include traces of other C15H24 compounds (cadinene, farnesene, valencene)”. 4% consist of C15H24 compounds. |
Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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
|
| Boiling Point: | 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 | | | water, 0.01923 mg/L @ 25 °C (est) |
Organoleptic Properties:
| Odor Type: woody |
| sweet woody dry guaiacwood spicy powdery balsamic |
Odor Description:at 100.00 %. sweet woody dry guaiacwood spicy powdery
Luebke, William tgsc, (1989) |
| Odor sample from: Fritzsche Dodge & Olcott, Inc. |
| Flavor Type: woody |
| woody guaiacwood balsamic spicy cascarilla myrrh powdery |
Taste Description: woody guaiacwood balsamic spicy cascarilla myrrh powdery
Luebke, William tgsc, (1989) |
| Odor and/or flavor descriptions from others (if found). |
| Vigon International |
| Guaiene Natural |
| Odor Description:SWEET, WOODY, BALSAMIC |
| Perfumery Laboratory |
| Gwaii natural PENTA (GUAIENE NATURAL PENTA) |
| Odor Description:Sweet, balsamic spicy flavor inherent guaiac wood |
Cosmetic Information:
Suppliers:
Safety Information:
| |
| 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. |
| Human Experience: |
| 2 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity: |
oral-rat LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 371, 1979.
|
| Dermal Toxicity: |
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 371, 1979.
|
| Inhalation Toxicity: |
|
Not determined
|
Safety in Use Information:
| Category: | | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment: Search |
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice |
| Recommendation for guaiene usage levels up to: | | | 2.0000 % 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 Concern: | 1800 (μg/person/day) |
| Structure Class: | I |
| |
| 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/kg | maximum usage mg/kg |
| Dairy products, excluding products of category 02.0 (01.0): | 7.00000 | 35.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 |
| Processed fruit (04.1): | 7.00000 | 35.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - |
| Confectionery (05.0): | 10.00000 | 50.00000 |
| Chewing gum (05.3): | - | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 |
| Bakery wares (07.0): | 10.00000 | 50.00000 |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 |
| Eggs and egg products (10.0): | - | - |
| Sweeteners, including honey (11.0): | - | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 |
| Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 25.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 |
| Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 |
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 25, (FGE.25)[1] - Aliphatic and aromatic hydrocarbons from chemical group 31 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
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Flavouring Group Evaluation 78 (FGE.78)[1] - Consideration of Aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25 - Scientific Opinion of the Panel on Food Additives,Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 25Rev1: Aliphatic and aromatic hydrocarbons from chemical group 31
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 78, Revision 1 (FGE.78Rev1): Consideration of aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25Rev2
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 25, Revision 2 (FGE.25Rev2): Aliphatic and aromatic hydrocarbons from chemical group 31
View page or View pdf
|
Statement on List of Representative Substances for Testing.
The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000).
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 78, Revision 2 (FGE.78Rev2): Consideration of aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic hydrocarbons evaluated by EFSA in FGE.25Rev3
View page or View pdf
|
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):88-84-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6949 |
| National Institute of Allergy and Infectious Diseases:Data |
| 1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene |
| Chemidplus:0000088846 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
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 |
Articles:
| 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)]. |
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