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| CAS No.: | 107-75-5 |
|---|---|
| Name: | 3,7-Dimethyl-7-hydroxyoctanal |
| Molecular Structure: | |
|
|
|
| Formula: | C10H20O2 |
| Molecular Weight: | 172.268 |
| 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; |
| EINECS: | 203-518-7 |
| Density: | 0.912 g/cm3 |
| Melting Point: | 19oC |
| Boiling Point: | 251.6 °C at 760 mmHg |
| Flash Point: | 103.8 °C |
| Solubility: | 35g/L at 20℃ |
| Appearance: | clear colourless liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 38-41 |
| Safety: | 26-39 |
| PSA: | 37.30000 |
| LogP: | 2.15270 |
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| 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 |
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Chemistry
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
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.
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H | FCTXAV Food and Cosmetics Toxicology. 12 (1974),921. |
Consensus Reports
Reported in EPA TSCA Inventory.
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.
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.