sabinene hydrate
4-thujanol
Identification
| Name | sabinene hydrate |
| IUPAC | 4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol |
| CAS Number | 546-79-2 |
| EINECS | 208-911-7 |
| FDA UNII | Search |
| Molecular Formula | C10 H18 O |
| Molecular Weight | 154.25266000 |
| MDL Number | MFCD00792513 |
| Nikkaji Number | J52.222H |
| CoE Number | 10309 |
Regulatory
| JECFA Food Flavoring | 441 4-thujanol |
| DG SANTE Food Flavourings | 02.085 sabinene hydrate |
| FEMA Number | 3239 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 546-79-2 ; 4-THUJANOL |
Physical Properties
| Appearance | white crystals (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 58.00 to 62.00 °C. @ 760.00 mm Hg |
| Boiling Point | 200.00 to 201.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.075000 mmHg @ 25.00 °C. (est) |
| Flash Point | 176.00 °F. TCC ( 80.00 °C. ) |
| logP (o/w) | 2.351 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description |
at 1.00 % in dipropylene glycol. Cooling, minty, eucalyptol, green and terpy with a spicy nuance
|
| Taste Description | at 10.00 ppm. |
Safety Information
| European information | Most important hazard(s): |
| 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 |
| maximum skin levels for fine fragrances | 0.0200 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey). |
| Recommendation for sabinene hydrate usage levels up to | 0.5000 % in the fragrance concentrate. |
| use level in formulae for use in cosmetics | 0.0200 % |
| Dermal Systemic Exposure in Cosmetic Products | 0.0005 mg/kg/day |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.91 (μg/capita/day) |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| 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 | - |
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Potential Uses
Natural Occurrence
Synonyms
bicyclo 3.1.0 hexan-2-ol, 2-methyl-5-(1-methylethyl)-
bicyclo(3.1.0)hexan-2-ol, 2-methyl-5-(1-methylethyl)-
bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-
4-
methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol
2-
methyl-5-(1-methyl ethyl) bicyclo(3.1.0)hexan-2-ol
(1a,2a,5a)-2-
methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol
2-
methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol
2-
methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-ol
2-
methyl-5-(propan-2-yl)bicyclo[3.1.0]hexan-2-ol
(1R*,2S*,5S*)-5-iso
propyl-2-methylbicyclo[3.1.0]hexan-2-ol
5-iso
propyl-2-methylbicyclo[3.1.0]hexan-2-ol
sabina hydrate
sabinene hydrate
cis-
sabinenehydrate
thujan-4-ol
trans-
thujan-4-ol
4-
thujanol
PubMed:
Fumigant toxicity and acetylcholinesterase inhibitory activity of 4 Asteraceae plant essential oils and their constituents against Japanese termite (Reticulitermes speratus Kolbe).
PubMed:
Antioxidant effects of the monoterpenes carvacrol, thymol and sabinene hydrate on chemical and sensory stability of roasted sunflower seeds.
PubMed:
Stereochemical mechanism of two sabinene hydrate synthases forming antipodal monoterpenes in thyme (Thymus vulgaris).
PubMed:
Chemical diversity of wild growing Origanum majorana in Cyprus.
PubMed:
Analysis of the essential oil of large cardamom (Amomum subulatum Roxb.) growing in different agro-climatic zones of Himachal Pradesh, India.
PubMed:
Distillation time alters essential oil yield, composition, and antioxidant activity of male Juniperus scopulorum trees.
PubMed:
Chemical composition, olfactory analysis and antibacterial activity of Thymus vulgaris chemotypes geraniol, 4-thujanol/terpinen-4-ol, thymol and linalool cultivated in southern France.
PubMed:
Chemical composition, antimicrobial, antioxidant and cytotoxic activity of the essential oil from the leaves of Acanthopanax leucorrhizus (Oliv.) Harms.
PubMed:
Culture conditions and salt effects on essential oil composition of sweet marjoram (Origanum majorana) from Tunisia.
PubMed:
Variation of chemical composition of essential oils in wild populations of Thymus algeriensis Boiss. et Reut., a North African endemic species.
PubMed:
In vitro evaluation of the protective effects of 4-thujanol against mitomycin-C and cyclophosphamide-induced genotoxic damage in human peripheral lymphocytes.
PubMed:
Oil constituents of Artemisia nilagirica var. septentrionalis growing at different altitudes.
PubMed:
Free radical scavenging and antiacetylcholinesterase activities of Origanum majorana L. essential oil.
PubMed:
Solvent-free microwave extraction and hydrodistillation of essential oils from endemic Origanum husnucanbaseri H. Duman, Aytac & A. Duran: comparison of antibacterial activity and contents.
PubMed:
The essential oils of the Greek endemic Satureja horvatii ssp. macrophylla in relation to bioclimate.
PubMed:
Volatile oil composition and antiproliferative activity of Laurus nobilis, Origanum syriacum, Origanum vulgare, and Salvia triloba against human breast adenocarcinoma cells.
PubMed:
A biochemical interpretation of terpene chemotypes in Melaleuca alternifolia.
PubMed:
Supercritical fluid extraction of oregano (Origanum vulgare) essentials oils: anti-inflammatory properties based on cytokine response on THP-1 macrophages.
PubMed:
Systemic induction of monoterpene biosynthesis in Origanumxmajoricum by soil bacteria.
PubMed:
Seasonal variation in the essential oil composition of Origanum majorana L. cultivated in Egypt.
PubMed:
Total phenolic content, radical scavenging properties, and essential oil composition of Origanum species from different populations.
PubMed:
Analysis of essential oils of Artemisia absinthium L. from Lithuania by CC, GC(RI), GC-MS and 13C NMR.
PubMed:
Essential oil composition of Laurus nobilis L. of different growth stages growing in Iran.
PubMed:
Antibacterial activity and chemical constitutions of essential oils of Thymus persicus and Thymus eriocalyx from west of Iran.
PubMed:
Effects of cis-beta-ocimene, cis-sabinene hydrate, and monoterpene and sesquiterpene mixtures on alfalfa pellet intake by lambs.
PubMed:
Chemical composition of the volatile extract and antioxidant activities of the volatile and nonvolatile extracts of Egyptian corn silk (Zea mays L.).
PubMed:
Toxicity of Myristica fagrans seed compounds against Blattella germanica (Dictyoptera: Blattellidae).
PubMed:
Evaluation of characteristic aroma compounds of Citrus natsudaidai Hayata (Natsudaidai) cold-pressed peel oil.
PubMed:
Isolation of Seseli bocconi Guss., subsp. praecox Gamisans (Apiaceae) volatile oil by supercritical carbon dioxide extraction.
PubMed:
Supercritical carbon dioxide extraction of compounds with antimicrobial activity from Origanum vulgare L.: determination of optimal extraction parameters.
PubMed:
Isolation and partial characterisation of a putative monoterpene synthase from Melaleuca alternifolia.
PubMed:
Chemical composition and extraction yield of the extract of Origanum vulgare obtained from sub- and supercritical CO2.
PubMed:
Changes of the volatile profile and artifact formation in Daidai (Citrus aurantium) cold-pressed peel oil on storage.
PubMed:
The effects of temperature and pressure on the characteristics of the extracts from high-pressure CO(2) extraction of Majorana hortensis Moench.
PubMed:
Monoterpenoid accumulation in Melaleuca alternifolia seedlings.
PubMed:
Allylic lithium oxyanionic directed and facilitated simmons-smith cyclopropanation: stereoselective synthesis of (+/-)-cis-sabinene hydrate and a novel ring expansion.
PubMed:
Ratios of cis- and trans-Sabinene Hydrate in Origanum majorana L. and Origanum microphyllum (Bentham) Vogel.
PubMed:
Chemotaxonomic study on Thymus villosus from Portugal.
PubMed:
A convenient synthesis of trans-sabinene hydrate from (-)-3-thujol via a highly selective ene reaction of singlet oxygen.
PubMed:
Oviposition stimulants for the black swallowtail butterfly: Identification of electrophysiologically active compounds in carrot volatiles.
PubMed:
Monoterpene biosynthesis: mechanism and stereochemistry of the enzymatic cyclization of geranyl pyrophosphate to (+)-cis- and (+)-trans-sabinene hydrate.
PubMed:
Monoterpene biosynthesis: demonstration of a geranyl pyrophosphate:sabinene hydrate cyclase in soluble enzyme preparations from sweet marjoram (Majorana hortensis).