| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 105-08-8 |
| ECHA EC Number: | 203-268-9 |
| FDA UNII: | 8C3FKR6R1B |
| Category: | solvents |
| IUPAC Name: | dimethylol cyclohexane |
| InChI : | InChI=1/C8H16O2/c9-5-7-1-2-8(6-10)4-3-7/h7-10H,1-6H2 |
| Std.InChI: | InChI=1S/C8H16O2/c9-5-7-1-2-8(6-10)4-3-7/h7-10H,1-6H2 |
| InChIKey : | YIMQCDZDWXUDCA-UHFFFAOYAS |
| Std.InChIKey: | YIMQCDZDWXUDCA-UHFFFAOYSA-N |
| SMILES : | C1CC(CCC1CO)CO |
| MDL: | MFCD00001512 |
| Molar Refractivity : | 40.12 ± 0.3 cm3 (est) |
| Parachor : | 362.3 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.470 ± 0.02 (est) |
| Surface Tension : | 40.5 ± 3.0 dyne/cm (est) |
| Density : | 1.004 ± 0.06 g/cm3 (est) |
| Polarizability : | 15.90 ± 0.5 10-24cm3 (est) |
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| FDA/DG SANTE Petitions, Reviews, Notices: | |
| FCN 87 | 1,4-cyclohexanedimethanol View |
| FCN 1898 | 1,4-Cyclohexanedimethanol View - notice |
| DG SANTE Food Contact Materials: | 1,4-bis(hydroxymethyl)cyclohexane |
| FDA Mainterm (IAUFC): | 105-08-8 ; 1,4-CYCLOHEXANEDIMETHANOL |
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 41.00 to 61.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 273.00 to 274.00 °C. @ 760.00 mm Hg |
| Flash Point: | 322.00 °F. TCC ( 161.11 °C. ) |
| logP (o/w): | 0.359 (est) |
| Soluble in: | |
| alcohol | |
| water, 4312 mg/L @ 25 °C (est) | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | solvents |
| BOC Sciences |
| For experimental / research use only. |
| 1,4-Cyclohexanedimethanol |
| Charkit Chemical |
| CYCLOHEXANEDIMETHANOL, 1-, 4- 90% |
| Charkit Chemical |
| CYCLOHEXANEDIMETHANOL,1-4- 99% |
| Eastman Chemical |
| Eastman™ CHDM-D |
| EMD Millipore |
| For experimental / research use only. |
| 1,4-Bis(hydroxymethyl)-cyclohexane |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 1,4-Cyclohexanedimethanol |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 1,4-Cyclohexanedimethanol mixture of cis and trans, 99% |
| TCI AMERICA |
| For experimental / research use only. |
| 1,4-Cyclohexanedimethanol (cis- and trans- mixture) >99.0%(GC) |
| Preferred SDS: View | |
| 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. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 3200 mg/kg Kodak Company Reports. Vol. 21MAY1971 oral-mouse LD50 1600 mg/kg Kodak Company Reports. Vol. 21MAY1971 intraperitoneal-mouse LDLo 1600 mg/kg "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 194, 1969. intraperitoneal-rat LDLo 800 mg/kg "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 194, 1969. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| solvents | |||
| Recommendation for dimethylol cyclohexane usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for dimethylol cyclohexane flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):105-08-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7735 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| [4-(hydroxymethyl)cyclohexyl]methanol |
| Chemidplus:0000105088 |
| RTECS:GU9800000 for cas# 105-08-8 |
| [4-(hydroxymethyl)cyclohexyl]methanol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 105-08-8 |
| Pubchem (cid): | 7735 |
| Pubchem (sid): | 134970840 |
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Indirect Additives used in Food Contact Substances: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2906.19.5000 |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: cis & trans isomers are known & are present in the commercial product in about 30-70%. | |
| None Found |
| None Found |
| not found in nature |
| (Z+E)-1,4- | cyclohexane dimethanol |
| 1,4- | cyclohexane dimethanol |
| cyclohexane-1,4-dimethanol | |
| 1,4- | cyclohexanedimethanol |
| dimethylolcyclohexane | |
| 1,4- | dimethylolcyclohexane |
| 1,4-bis( | hydroxymethyl) cyclohexane |
| 1,4-bis( | hydroxymethyl)cyclohexane |
| [4-( | hydroxymethyl)cyclohexyl]methan-1-ol |
| [4-( | hydroxymethyl)cyclohexyl]methanol |
