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Lavandulyl acetate
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Name

Lavandulyl acetate

 EINECS N/A
CAS No. 20777-39-3 Density 0.947 g/mL at 20 °C(lit.)
PSA 26.30000 LogP 3.09810
Solubility N/A Melting Point N/A
Formula C12H20O2 Boiling Point 232-234 °C(lit.)
Molecular Weight 196.29 Flash Point 194 °F
Transport Information N/A Appearance N/A
Safety A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. Risk Codes N/A
Molecular Structure Molecular Structure of 20777-39-3 ((-)-DIHYDROCARVYL ACETATE) Hazard Symbols
Synonyms

DIHYDROCARVYLACETATE,(+);CARHYDRINE;(R)-lavandulyl acetate;(R)-3-acetoxymethyl-2,6-dimethyl-hepta-1,5-diene;(-)-(R)-lavanduyl acetate;Lavendulyl acetate;(-)-O-acetyl-lavandulol;lavandulyl acetate;L-DIHYDROCARVYL ACETATE;DIHYDROCARVEYL ACETATE;

Article Data 3

Lavandulyl acetate Synthetic route

498-16-8

(R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-ol

108-24-7

acetic anhydride

20777-39-3

(-)-(R)-lavanduyl acetate

Conditions
ConditionsYield
With dmap; triethylamine In dichloromethane at 0℃;88%
108-05-4

vinyl acetate

58461-27-1

(+/-)-lavandulol

A

498-16-8

(R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-ol

B

20777-39-3

(-)-(R)-lavanduyl acetate

C

144831-70-9

(2S)-5-methyl-2-(prop-1-en-2-yl)hex-4-enyl acetate

Conditions
ConditionsYield
With Porcine Pancreas Lipase In hexane at 20℃; for 3h; Enzymatic reaction; Title compound not separated from byproducts;A 971 mg
B n/a
C n/a
25905-14-0

lavandulyl acetate

A

498-16-8

(R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-ol

B

50373-53-0

(2S)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-ol

C

20777-39-3

(-)-(R)-lavanduyl acetate

D

144831-70-9

(2S)-5-methyl-2-(prop-1-en-2-yl)hex-4-enyl acetate

Conditions
ConditionsYield
With Porcine Pancreas Lipase; sodium phosphate buffer at 20℃; for 0.5h; pH=7; Enzymatic reaction; Title compound not separated from byproducts;
1327155-02-1

(R)-2-isopropenyl-5-methyl-hexane-1,5-diol

A

1327155-04-3

C12H20O2

B

20777-39-3

(-)-(R)-lavanduyl acetate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: pyridine / 16 h / 8 °C
2: thionyl chloride; triethylamine / 3 h / 25 °C
View Scheme
1345866-27-4

C12H22O3

A

1327155-04-3

C12H20O2

B

20777-39-3

(-)-(R)-lavanduyl acetate

Conditions
ConditionsYield
With thionyl chloride; triethylamine at 25℃; for 3h;
1327155-05-4

(5S)-5-isopropenyl-2-methyl-octane-2,7-diol

A

1327155-04-3

C12H20O2

B

20777-39-3

(-)-(R)-lavanduyl acetate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: pyridinium chlorochromate / dichloromethane
2: Acremonium roseum AM346 / water; acetone / 264 h / Enzymatic reaction
3: pyridine / 16 h / 8 °C
4: thionyl chloride; triethylamine / 3 h / 25 °C
View Scheme
1327155-06-5

C12H22O2

A

1327155-04-3

C12H20O2

B

20777-39-3

(-)-(R)-lavanduyl acetate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: Acremonium roseum AM346 / water; acetone / 264 h / Enzymatic reaction
2: pyridine / 16 h / 8 °C
3: thionyl chloride; triethylamine / 3 h / 25 °C
View Scheme
7086-79-5, 85031-77-2, 136521-14-7, 127288-10-2

(3S)-4-methyl-3-(3-oxobutyl)pent-4-enal

A

1327155-04-3

C12H20O2

B

20777-39-3

(-)-(R)-lavanduyl acetate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: tetrahydrofuran / 2 h / 30 °C
2: pyridinium chlorochromate / dichloromethane
3: Acremonium roseum AM346 / water; acetone / 264 h / Enzymatic reaction
4: pyridine / 16 h / 8 °C
5: thionyl chloride; triethylamine / 3 h / 25 °C
View Scheme
20777-39-3

(-)-(R)-lavanduyl acetate

1195619-81-8

(R)-5-methyl-2-(prop-1-en-2-yl)hexyl Acetate

Conditions
ConditionsYield
Stage #1: (-)-(R)-lavanduyl acetate With 9-bora-bicyclo[3.3.1]nonane In tetrahydrofuran at 0 - 25℃; for 2.5h; Inert atmosphere;
Stage #2: With palladium 10% on activated carbon; hydrogen In tetrahydrofuran under 760.051 Torr; Inert atmosphere;
Stage #3: With 2-methyl-2-nitrosopropane dimer In tetrahydrofuran for 0.75h; regioselective reaction;		60%
502-70-5

crocetindial

19945-56-3

methyl 4-diethylphosphono-3-methyl-2-butenoate

20777-39-3

(-)-(R)-lavanduyl acetate

60252-71-3

(2R,3E,2'R,3'E)-2,2'-bis-(3-methyl-butyl)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-ψ,ψ-carotene

Conditions
ConditionsYield
Multistep reaction;

Lavandulyl acetate Chemical Properties

IUPAC Name: (5-Methyl-2-prop-1-en-2-ylhex-4-enyl) acetate
Synonyms: 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, acetate, (2R)- ; 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, acetate, (R)- ; (R)-2-Isopropenyl-5-methylhex-4-enyl acetate
CAS NO: 20777-39-3
Molecular Formula of Lavandulyl acetate (CAS NO.20777-39-3) : C12H20O2
Molecular Weight of Lavandulyl acetate (CAS NO.20777-39-3) : 196.29
Molecular Structure of Lavandulyl acetate (CAS NO.20777-39-3) :
EINECS: 244-029-9
Mol File: 20777-39-3.mol
Index of Refraction: 1.45
Surface Tension: 27.3 dyne/cm
Density: 0.897 g/cm3
Flash Point: 70.5 °C
Enthalpy of Vaporization: 46.53 kJ/mol
Boiling Point: 228.7 °C at 760 mmHg
Vapour Pressure: 0.0724 mmHg at 25°C

Lavandulyl acetate Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MOD

     FCTXAV    Food and Cosmetics Toxicology. 16 (1978),805.

Lavandulyl acetate Consensus Reports

Reported in EPA TSCA Inventory.

Lavandulyl acetate Safety Profile

A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety Statements 23-24/25
S23:Do not breathe vapour. 
S24/25:Avoid contact with skin and eyes.
WGK Germany 2
RTECS OT0210000

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