3,7-Dimethyl-1-octanol - CAS 106-21-8
Catalog: |
BB001833 |
Product Name: |
3,7-Dimethyl-1-octanol |
CAS: |
106-21-8 |
Synonyms: |
3,7-dimethyloctan-1-ol |
IUPAC Name: | 3,7-dimethyloctan-1-ol |
Description: | 3,7-Dimethyl-1-octanol (CAS# 106-21-8) is a useful organic reactant/reagent. |
Molecular Weight: | 158.28 |
Molecular Formula: | C10H22O |
Canonical SMILES: | CC(C)CCCC(C)CCO |
InChI: | InChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3 |
InChI Key: | PRNCMAKCNVRZFX-UHFFFAOYSA-N |
Boiling Point: | 98 °C (9 torr) |
Flash Point: | 95°C |
Purity: | 95 % |
Density: | 0.824 g/cm3 |
Solubility: | water, 175.4 mg/L @ 25 °C (est) |
Appearance: | Clear colorless liquid |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00002936 |
LogP: | 2.83120 |
Refractive Index: | n20/D 1.436(lit.) |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, P391, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
26697994 | 20160125 | Structural parameters, molecular properties, and biological evaluation of some terpenes targeting Schistosoma mansoni parasite | Chemico-biological interactions |
21959804 | 20111001 | Preparation and evaluation of 5, 9-dimethyl-2-cyclopropyl-2-decanol as a penetration enhancer for drugs through rat skin | Pakistan journal of pharmaceutical sciences |
22272147 | 20110101 | Volatile compounds in honey: a review on their involvement in aroma, botanical origin determination and potential biomedical activities | International journal of molecular sciences |
19132702 | 20090101 | Zr-zeolite beta: a new heterogeneous catalyst system for the highly selective cascade transformation of citral to (+/-)-menthol | Chemistry (Weinheim an der Bergstrasse, Germany) |
18640235 | 20081101 | Fragrance material review on 3,7-dimethyl-1-octanol | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
Complexity: | 78.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.167065321 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.167065321 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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