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| IUPAC name : | 2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol |
| InChI : | InChI=1/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3 |
| InChIKey : | WUOACPNHFRMFPN-UHFFFAOYAL |
| SMILES : | CC1=CCC(CC1)C(C)(C)O |
| cas number : | 98-55-5 |
| % from : | 92.00% to 95.00% |
| (EINECS) number : | 202-680-6 |
| beilstein number : | 1906604 |
| fema number : | 3045 |
| coe number : | 62 |
| jecfa number : | 366 |
| fl. number : | 02.014 |
| molar refractivity : | 47.07 ± 0.3 cm3 |
| parachor : | 396.0 ± 6.0 cm3 |
| index of refraction : | 1.482 ± 0.02 |
| surface tension : | 33.2 ± 3.0 dyne/cm |
| density : | 0.934 ± 0.06 g/cm3 |
| polarizability : | 18.66 ± 0.5 10-24cm3 |
| XlogP : | 2.40 |
| molecular weight : | 154.2493200 (IUPAC) |
| formula : | C10 H18 O |
| pherobase floral: | view |
| NMR Predictor : | Predict |
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| IUPAC name : | 1-methyl-4-propan-2-ylidenecyclohexan-1-ol |
| InChI : | InChI=1/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h11H,4-7H2,1-3H3 |
| InChIKey : | NNRLDGQZIVUQTE-UHFFFAOYAB |
| SMILES : | CC(=C1CCC(CC1)(C)O)C |
| cas number : | 586-81-2 |
| % from : | 4.00% to 6.00% |
| (EINECS) number : | 209-584-3 |
| molar refractivity : | 47.35 ± 0.3 cm3 |
| parachor : | 394.4 ± 6.0 cm3 |
| index of refraction : | 1.490 ± 0.02 |
| surface tension : | 33.6 ± 3.0 dyne/cm |
| density : | 0.941 ± 0.06 g/cm3 |
| polarizability : | 18.77 ± 0.5 10-24cm3 |
| XlogP : | 1.90 |
| molecular weight : | 154.2493200 (IUPAC) |
| formula : | C10 H18 O |
| pherobase floral: | view |
| NMR Predictor : | Predict |
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| IUPAC name : | 1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol |
| InChI : | InChI=1/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3 |
| InChIKey : | RUJPNZNXGCHGID-UHFFFAOYAO |
| SMILES : | CC(=C)C1CCC(CC1)(C)O |
| cas number : | 138-87-4 |
| % from : | 1.00% to 2.00% |
| (EINECS) number : | 205-342-6 |
| beilstein number : | 2205072 |
| fema number : | 3564 |
| coe number : | 10254 |
| jecfa number : | 374 |
| fl. number : | 02.097 |
| molar refractivity : | 47.25 ± 0.3 cm3 |
| parachor : | 397.6 ± 6.0 cm3 |
| index of refraction : | 1.476 ± 0.02 |
| surface tension : | 31.8 ± 3.0 dyne/cm |
| density : | 0.921 ± 0.06 g/cm3 |
| polarizability : | 18.73 ± 0.5 10-24cm3 |
| XlogP : | 2.50 |
| molecular weight : | 154.2493200 (IUPAC) |
| formula : | C10 H18 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2906.19.3000 |
| fda reg : | 172.515 178.1010 172.515 |
Suppliers :
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| Advanced Biotech : | alpha-terpineol
96% min. (mixed isomers) natural Odor: Pine |
| Advanced Biotech : | alpha-TERPINEOL
SYNTHETIC |
| Berje : | alpha-Terpineol
|
| Berje : | alpha-Terpineol
Natural |
| Citrus and Allied Essences : | alpha-Terpineol Super
FCC |
| Citrus and Allied Essences : | alpha-Terpineol
(NQ) (natural) |
| Fleurchem : | alpha-terpineol
natural |
| Fleurchem : | alpha-terpineol
|
| Hofmen : | alpha-Terpineol
70%, 20% |
| IFF : | Alpha-Terpineol
≥95% (sum of peaks) Odor: Lilac, Citrus, Lime Lilac, Apple Blossom with a Fresh Lime, Pine, Earthy character. |
| IFF : | Lindenol™
≥99% (sum of isomers) Odor: Clean, Sweet, Lilac Specially produced for fine perfumery. High purity offers outstanding odor value. Clean, delicate, sweet, lilac. |
| John D. Walsh : | alpha-Terpineol
|
| John D. Walsh : | Lindenol
|
| John D. Walsh : | Tilianol Super
|
| Mane : | terpineol crystals
|
| Nippon Terpene : | alpha-Terpineol
90% up |
| Penta : | alpha-terpineol
natural |
| Penta : | alpha-terpineol
|
| PFW : | TILIANOL NP™
≥97% Odor: has a clean sweet floral odour, reminiscent of lilac and linden blossom. |
| PFW : | TILIANOL SUPER™
≥97% Odor: has a clean sweet anisic floral odour, reminiscent of lilac and linden blossom. |
| Polarome : | TERPINEOL
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| Robertet : | Terpineol alpha
naturel |
| Takasago : | alpha-Terpineol Extra
≥70% as alpha-Terpineol Odor: Delicately floral and sweet of lilac type Floral citrus note used in lilac, lily of the valley, apple blossom, pine, and lime compositions. Used in flavors in moderate amounts for berry, lemon-lime, nutmeg, orange, and peach. |
| Takasago : | alpha-Terpineol P and F laevo
Odor: Delicately floral and sweet of lilac type Used in lilac, lily of the valley, apple blossom, and fougere type fragrances. Finds extensive use in soaps, detergents, and household products. |
| Vigon : | Terpineol Alpha
Natural Odor: PINE OIL |
| Vigon : | Terpineol Alpha
Natural Purified Odor: TERPINENE |
organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description: at 100.00 %. | pine terpene lilac citrus woody floral Luebke, William tgsc, (1981) |
| odor sample from : | Berje Inc. |
odor description: at 1.00 % in ethyl alcohol. | Pine-like, woody and resinous with a slight cooling lemon and lime citrus nuance, and a floral dry out Mosciano, Gerard P&F 25, No. 6, 26, (2000) |
taste description: at 10.00 - 25.00 ppm. | Citrus woody with a lemon and lime nuance. It has a slight soapy mouth feel Mosciano, Gerard P&F 25, No. 6, 26, (2000) |
| substantivity : | 20 Hour(s) |
properties :
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| appearence : | colorless viscous liquid to solid |
| assay : | 96.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.93000 to 0.93600 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.739 to 7.788
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| refractive index : | 1.47400 to 1.48600 @ 20.00 °C.
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| melting point : | 40.00 to 41.00 °C. @ 760.00 mm Hg
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| boiling point : | 214.00 to 218.00 °C. @ 760.00 mm Hg
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| boiling point : | 136.00 to 137.00 °C. @ 50.00 mm Hg
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| vapor pressure : | 0.04200 mm/Hg @ 25.00 °C. |
| vapor density : | 5.3 ( Air = 1 ) |
| flash point : | 191.00 °F. TCC ( 88.33 °C. )
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| logP (o/w) : | 2.98 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
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| Human experience : | 4 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : | |
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Oral-Rat 4300.00 mg/kg (Moreno, 1971)
Gavage-Mouse [sex: M] 2830.00 mg/kg (Yamahara et al., 1985)
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| Dermal Toxicity(LD50) : | |
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Skin-Rabbit >3000.00 mg/kg
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 2600.00 (μg/capita/day) |
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| recommendation for alpha-terpineol fragrance usage levels up to : |
| | 30.0000 % in the fragrance concentrate.
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| recommendation for alpha-terpineol flavor usage levels up to : |
| | 40.0000 ppm in the flavor.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| msds : | msds |
| EPI System : | view |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol |
| (EINECS) number : | 202-680-6 |
| RTECS : | WZ6700000 for cas# 98-55-5 |
| chemidplus : | 000098555 |
| EPA Substance Registry Services : | 98-55-5 |
| dtp/nci : | 21449 |
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| | 1-methyl-4-propan-2-ylidenecyclohexan-1-ol |
| (EINECS) number : | 209-584-3 |
| chemidplus : | 000586812 |
| EPA Substance Registry Services : | 586-81-2 |
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| |
| | 1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol |
| (EINECS) number : | 205-342-6 |
| chemidplus : | 000138874 |
| EPA Substance Registry Services : | 138-87-4 |
references :
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| Leffingwell : | chirality |
| | 2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol |
| fl. number : | 02.014 |
| jecfa number : | 366 |
| NIST Chemistry WebBook : | 1344108162 |
| pubchem : | 197210 |
| Flavornet : | 98-55-5 |
| | 1-methyl-4-propan-2-ylidenecyclohexan-1-ol |
| NIST Chemistry WebBook : | 1520147460 |
| pubchem : | 154774 |
| | 1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol |
| fl. number : | 02.097 |
| jecfa number : | 374 |
| NIST Chemistry WebBook : | 1717681368 |
| pubchem : | 151906 |
| Flavornet : | 138-87-4 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| | C of A |
| RIFM : | listed |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |