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107-75-5

Basic Information
CAS No.: 107-75-5
Name: 3,7-Dimethyl-7-hydroxyoctanal
Article Data: 15
Molecular Structure:
Molecular Structure of 107-75-5 (3,7-Dimethyl-7-hydroxyoctanal)
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: IrritantXi
Risk Codes: 38-41
Safety: 26-39
PSA: 37.30000
LogP: 2.15270
Synthetic route
2385-77-5

(R)-Citronellal

107-75-5

7-hydroxy-3,7-dimethyl-octanal

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
at 25℃; for 3h; Product distribution; in function of quantity of methanol and sulphuric acid;
107-75-5

7-hydroxy-3,7-dimethyl-octanal

Conditions
ConditionsYield
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
ConditionsYield
With hydrogen; potassium iodide; kieselguhr; nickel In isopropyl alcohol under 112509 Torr; Yield given;
141-27-5

3,7-dimethyl-2,6-octadienal

107-75-5

7-hydroxy-3,7-dimethyl-octanal

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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):

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: IrritantXi
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.