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Cas Database |
| Name |
3,7-Dimethyl-7-hydroxyoctanal |
EINECS | 203-518-7 |
| CAS No. | 107-75-5 | Density | 0.912 g/cm3 |
| PSA | 37.30000 | LogP | 2.15270 |
| Solubility | 35g/L at 20℃ | Melting Point |
19oC |
| Formula | C10H20O2 | Boiling Point | 251.6 °C at 760 mmHg |
| Molecular Weight | 172.268 | Flash Point | 103.8 °C |
| Transport Information | N/A | Appearance | clear colourless liquid |
| Safety | 26-39 | Risk Codes | 38-41 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Octanal,7-hydroxy-3,7-dimethyl-;3,7-Dimethyl-7-hydroxyoctanal;7-Hydroxy-3,7-dimethyloctanal;7-Hydroxycitronellal;Citronellal hydrate;Citronellal, hydroxy-;Cyclalia;Cyclosia;Cyclosia base;Fixol;Laurine;Lilyl aldehyde;Muguet synthetic;Muguettine principle;NSC 406740;Phixia; |
Article Data | 15 |
3,7-Dimethyl-7-hydroxyoctanal Synthetic route
| Conditions | Yield |
|---|---|
| With sodium hydrogensulfite Behandeln des Addukts mit Schwefelsaeure und Behandeln des Reaktionsprodukts mit wss.Natriumcarbonat; |
- 68797-68-2
7-hydroxy-3,7-dimethyloctanenitrile
- 107-75-5
7-hydroxy-3,7-dimethyl-octanal
| Conditions | Yield |
|---|---|
| With acetic acid; zinc; cob(I)alamin Ambient temperature; |
- 67-56-1
methanol
- 123366-53-0, 1723-79-1
N-(3,7-dimethyl-1,6-octadienyl)-piperidine
A
- 106-23-0, 26489-02-1
3,7-dimethyl-oct-6-enal
B
- 107-75-5
7-hydroxy-3,7-dimethyl-octanal
C
- 3613-30-7
7-methoxy-3,7-dimethyloctanal
| Conditions | Yield |
|---|---|
| at 25℃; for 3h; Product distribution; in function of quantity of methanol and sulphuric acid; |
- 67-56-1
methanol
- 42822-94-6
N-(3,7-dimethyl-1,6-octadienyl)-morpholine
A
- 106-23-0, 26489-02-1
3,7-dimethyl-oct-6-enal
B
- 107-75-5
7-hydroxy-3,7-dimethyl-octanal
C
- 3613-30-7
7-methoxy-3,7-dimethyloctanal
| Conditions | Yield |
|---|---|
| at 25℃; for 3h; Product distribution; in function of quantity of methanol and sulphuric acid; |
- 67-56-1
methanol
- 42822-96-8
2-(2,6-dimethyl-5-heptenyl)-3-oxazolidineethanol
A
- 106-23-0, 26489-02-1
3,7-dimethyl-oct-6-enal
B
- 107-75-5
7-hydroxy-3,7-dimethyl-octanal
C
- 3613-30-7
7-methoxy-3,7-dimethyloctanal
| Conditions | Yield |
|---|---|
| at 25℃; for 3h; Product distribution; in function of quantity of methanol and sulphuric acid; |
- 98206-63-4, 122612-23-1, 107-74-4
7-hydroxycitronellol
- 107-75-5
7-hydroxy-3,7-dimethyl-octanal
| Conditions | Yield |
|---|---|
| With sodium hypochlorite; ruthenium(IV) oxide In tetrachloromethane; water at 60 - 65℃; Yield given; |
- 55035-66-0
trans-2-hydroxy-2,3-dihydrocitral
- 107-75-5
7-hydroxy-3,7-dimethyl-octanal
| Conditions | Yield |
|---|---|
| With hydrogen; potassium iodide; kieselguhr; nickel In isopropyl alcohol under 112509 Torr; Yield given; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: sodium sulfite, 25percent sulfuric acid / H2O / 15 - 20 °C 2: sulfuric acid / H2O / 18 - 20 °C 3: 20percent sodium hydroxide / H2O / 5 - 7 °C 4: H2, potassium iodide / 50percent nickel/kieselguhr / aq. propan-2-ol / 112509 Torr View Scheme |
- 72172-53-3
1-Hydroxy-3,7-dimethyl-6-octen-1,3-disulfonsaeure
- 107-75-5
7-hydroxy-3,7-dimethyl-octanal
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: sulfuric acid / H2O / 18 - 20 °C 2: 20percent sodium hydroxide / H2O / 5 - 7 °C 3: H2, potassium iodide / 50percent nickel/kieselguhr / aq. propan-2-ol / 112509 Torr View Scheme |
- 128935-79-5
C10H20O8S2(2-)*2Na(1+)
- 107-75-5
7-hydroxy-3,7-dimethyl-octanal
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 20percent sodium hydroxide / H2O / 5 - 7 °C 2: H2, potassium iodide / 50percent nickel/kieselguhr / aq. propan-2-ol / 112509 Torr View Scheme |
3,7-Dimethyl-7-hydroxyoctanal Chemical Properties
Molecule structure of 3,7-Dimethyl-7-hydroxyoctanal (CAS NO.107-75-5):
.gif)
IUPAC Name: 7-Hydroxy-3,7-dimethyloctanal
Molecular Weight: 172.2646 g/mol
Molecular Formula: C10H20O2
Density: 0.912 g/cm3
Boiling Point: 251.6 °C at 760 mmHg
Flash Point: 103.8 °C
Index of Refraction: 1.442
Molar Refractivity: 50.02 cm3
Molar Volume: 188.8 cm3
Polarizability: 19.83×10-24 cm3
Surface Tension: 31.6 dyne/cm
Enthalpy of Vaporization: 56.8 kJ/mol
Vapour Pressure: 0.00318 mmHg at 25 °C
XLogP3-AA: 1.6
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 6
Tautomer Count: 2
Exact Mass: 172.14633
MonoIsotopic Mass: 172.14633
Topological Polar Surface Area: 37.3
Heavy Atom Count: 12
Complexity: 130
Canonical SMILES: CC(CCCC(C)(C)O)CC=O
InChI: InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3
InChIKey: WPFVBOQKRVRMJB-UHFFFAOYSA-N
EINECS: 203-518-7
Product Categories: Aroma Chemicals; Alphabetical Listings; Flavors and Fragrances; G-H
3,7-Dimethyl-7-hydroxyoctanal Uses
3,7-Dimethyl-7-hydroxyoctanal (CAS NO.107-75-5) is a multi-purpose spice, either for a variety of floral, but also for many non-flower.
3,7-Dimethyl-7-hydroxyoctanal Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H | FCTXAV Food and Cosmetics Toxicology. 12 (1974),921. |
3,7-Dimethyl-7-hydroxyoctanal Consensus Reports
Reported in EPA TSCA Inventory.
3,7-Dimethyl-7-hydroxyoctanal Safety Profile
Hazard Codes: 
Xi
Risk Statements: 38-41
R38:Irritating to skin.
R41:Risk of serious damage to the eyes.
Safety Statements: 26-39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S39:Wear eye / face protection.
WGK Germany: 1
RTECS: RG7850000
A skin irritant. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALDEHYDES.
3,7-Dimethyl-7-hydroxyoctanal Specification
3,7-Dimethyl-7-hydroxyoctanal (CAS NO.107-75-5) is also named as 1-Octanal, 3,7-dimethyl-7-hydroxy- ; 3,7-Dimethyl-7-hydroxyoctanal ; 4-01-00-04058 (Beilstein Handbook Reference) ; 7-Hydroxy-3,7-dimethyloctan-1-al ; 7-Hydroxy-3,7-dimethyloctanal ; 7-3,7-Dimethyl-7-hydroxyoctanal ; AI3-05823 ; BRN 1721290 ; Citronellal hydrate ; Citronellal, hydroxy- ; Cyclalia
Cyclosia ; FEMA No. 2583 ; Fixol ; Laurine ; Lilyl aldehyde ; Muguet synthetic ; Muguettine principle ; Musuet synthetic ; Musuettine principle ; NSC 406740 ; Octanal, 7-hydroxy-3,7-dimethyl- ; Oxydihydrocitronellal ; Phixia . 3,7-Dimethyl-7-hydroxyoctanal (CAS NO.107-75-5) is clear colourless liquid.
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