cis-2-pinanol
Identification
| Name | cis-2-pinanol |
| IUPAC | (1R,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol |
| CAS Number | 4948-28-1 |
| EINECS | 225-591-4 |
| FDA UNII | 2J3SJ3OQEU |
| Molecular Formula | C10 H18 O |
| Molecular Weight | 154.25266000 |
| MDL Number | MFCD00067143 |
| Nikkaji Number | J384.063H |
| Beilstein | 5476390 |
Regulatory
Physical Properties
| Appearance | white solid (est) |
| Assay | 95.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed | No |
| Melting Point | 43.00 to 46.00 °C. @ 760.00 mm Hg |
| Boiling Point | 204.00 to 206.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.068000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 5.3 ( Air = 1 ) |
| Flash Point | 175.00 °F. TCC ( 79.44 °C. ) |
| logP (o/w) | 2.650 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium |
| Substantivity | 28 hour(s) at 100.00 % |
| Odor Description | at 100.00 %. |
| Odor sample from | Millennium Chemicals |
Safety Information
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 2050 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 mg/kg |
| 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 | fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for cis-2-pinanol usage levels up to | 3.0000 % in the fragrance concentrate. |
| Recommendation for cis-2-pinanol flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
pinan-2-alpha-ol
2-
pinanol
alpha-
pinanol
cis-2-
pinanol
(1alpha,2alpha,5alpha)-2,2,6-
trimethyl bicyclo(3.1.1)heptan-2-ol
(1RS,2RS,5RS)-2,6,6-
trimethyl bicyclo(3.1.1)heptan-2-ol
1alpha,2alpha,5alpha-2,6,6-
trimethyl bicyclo(3.1.1)heptane
(1-a,2-a,5-a)-2,6,6-
trimethylbicyclo(3.1.1)heptan-2-ol
(1R,2S,5S)-2,6,6-
trimethylbicyclo[3.1.1]heptan-2-ol
PubMed:
Chemistry around pinene and pinane: a facile synthesis of cyclobutanes and oxatricyclo-derivative of pinane from cis- and trans-pinanols.
PubMed:
Terpenoids biotransformation in mammals III: Biotransformation of alpha-pinene, beta-pinene, pinane, 3-carene, carane, myrcene, and p-cymene in rabbits.