CAS No.115-95-7,Linalyl acetate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	115-95-7
Name:	Linalyl acetate
Article Data:	62
Cas Database

Formula:	C₁₂H₂₀O₂
Molecular Weight:	196.29
Synonyms:	1,6-Octadien-3-ol,3,7-dimethyl-, acetate (8CI,9CI);1,5-Dimethyl-1-vinyl-4-hexenylacetate;3,7-Dimethyl-1,6-octadien-3-yl acetate;3-Acetoxy-3,7-dimethyl-1,6-octadiene;Acetic acid linalool ester;Bergamiol;Bergamol;Bergamot mint oil;NSC 2138;dl-Linalool acetate;
EINECS:	204-116-4
Density:	0.897 g/cm³
Melting Point:	85 ºC
Boiling Point:	220 ºC at 760 mmHg
Flash Point:	69.6 ºC
Solubility:	499.8mg/L(25 oC)
Appearance:	clear colourless liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36-37
Transport Information:	N/A
PSA:	26.30000
LogP:	3.24060

Synthetic route

: 78-70-6
3,7-dimethylocta-1,6-dien-3-ol

: 108-24-7
acetic anhydride

: 115-95-7
linalool acetate

Conditions

Conditions	Yield
With magnesium(II) perchlorate at 20℃; for 3h;	100%
With Tri-n-octylamine; dmap at 125℃; for 13 - 16h; Product distribution / selectivity; Heating / reflux;	95%
With chloro-trimethyl-silane for 0.166667h; Ambient temperature; neat or in dichloromethane solution;	90%

: 108-22-5
Isopropenyl acetate

: 78-70-6
3,7-dimethylocta-1,6-dien-3-ol

: 115-95-7
linalool acetate

Conditions

Conditions	Yield
With Cp*2Sm(THF)2; cyclohexanone oxime acetate In toluene at 50℃; for 15h;	99%

: 123-35-3
7-methyl-3-methene-1,6-octadiene

: 115-95-7
linalool acetate

Conditions

Conditions	Yield
With hydrogenchloride; sodium acetate; triethylamine hydrochloride; copper(I) chloride In dichloromethane; water	84.5%

: 78-70-6
3,7-dimethylocta-1,6-dien-3-ol

A: 115-95-7
linalool acetate

B: 3338-55-4
(Z)-ocimene

Conditions

Conditions	Yield
With chloro-trimethyl-silane; acetic anhydride In acetonitrile for 24h;	A 76% B 13%

: 78-70-6
3,7-dimethylocta-1,6-dien-3-ol

: 108-24-7
acetic anhydride

A: 115-95-7
linalool acetate

B: 3338-55-4
(Z)-ocimene

Conditions

Conditions	Yield
With chloro-trimethyl-silane In acetonitrile for 24h;	A 76% B 13%

...Expand

: 78-70-6
3,7-dimethylocta-1,6-dien-3-ol

: 108-24-7
acetic anhydride

A: 105-87-3
3,7-dimethyl-2E,6-octadien-1-yl acetate

B: 115-95-7
linalool acetate

Conditions

Conditions	Yield
With scandium tris(trifluoromethanesulfonate) at -20℃; for 2.5h;	A 8 % Spectr. B 68%
With scandium tris(trifluoromethanesulfonate) at -20℃; for 2.5h;	A 8% B 68%
With trimethylsilyl trifluoromethanesulfonate at -20 - 0℃; Product distribution;

...Expand

: 78-70-6
3,7-dimethylocta-1,6-dien-3-ol

: 62796-78-5
1-acetyl-2,3-dihydro-5,7-dinitroindole

: 115-95-7
linalool acetate

Conditions

Conditions	Yield
In acetonitrile for 16h; UV-irradiation;	47%

: 110-86-1
pyridine

: 78-70-6
3,7-dimethylocta-1,6-dien-3-ol

: 108-24-7
acetic anhydride

: 115-95-7
linalool acetate

...Expand

: 4490-10-2
geranyl chloride

: 127-08-2
potassium acetate

: 115-95-7
linalool acetate

: 78-70-6
3,7-dimethylocta-1,6-dien-3-ol

: benzylmagnesium chloride

: 115-95-7
linalool acetate

Conditions

Conditions	Yield
Behandeln des Reaktionsprodukts mit Acetylchlorid;
Behandeln des Reaktionsprodukts mit Essigsaeureanhydrid;

Raw Materials

108-24-7

29171-20-8

62796-78-5

123-35-3

29171-21-9

78-70-6

471-10-3

Downstream Products

78-70-6

106-24-1

6138-90-5

126-90-9

106-25-2

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Chemistry

Molecular Structure:

Molecular Formula: C₁₂H₂₀O₂
Molecular Weight: 196.286
IUPAC Name: 3,7-Dimethylocta-1,6-dien-3-yl acetate
Synonyms of Linalyl acetate (CASNO.115-95-7): 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate ; 3,7-Dimethyl-1,6-octadien-3-ol acetate ; 3,7-Dimethyl-1,6-octadien-3-yl acetate ; AI3-00941 ; Acetic acid linalool ester ; Bergamiol ; Bergamol ; Bergamot mint oil ; EINECS 204-116-4 ; EINECS 254-806-4 ; Ex bois de rose (synthetic) ; FEMA No. 2636 ; HSDB 644 ; Licareol acetate ; Linalol acetate ; Linalool acetate ; Linalyl acetate (natural) ; Lynalyl acetate ; NSC 2138 ; (1)-1,5-Dimethyl-1-vinylhex-4-enyl acetate ; 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate ; Dehydrolinalool, acetate
CAS NO: 115-95-7
Classification Code: Skin / Eye Irritant
Melting point: 85°C
Index of Refraction: 1.452
Molar Refractivity: 59 cm³
Molar Volume: 218.6 cm³
Surface Tension: 27.7 dyne/cm
Density: 0.897 g/cm³
Flash Point: 69.6 °C
Enthalpy of Vaporization: 45.64 kJ/mol
Boiling Point: 220 °C at 760 mmHg
Vapour Pressure: 0.116 mmHg at 25°C

Uses

Linalyl acetate (CASNO.115-95-7) is one of the principal components of the essential oils of lavender and bergamot. It is the acetate ester of linalool, and the two often occur in conjunction. It is sometimes used as an adulterant in essential oils to make them more marketable.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	12gm/kg (12000mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA	Toksikologicheskii Vestnik. Vol. (5), Pg. 41, 1994.
rat	LD50	oral	13934mg/kg (13934mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA	Toksikologicheskii Vestnik. Vol. (5), Pg. 41, 1994.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Safety Information of Linalyl acetate (CASNO.115-95-7):
Hazard Codes: Xi
Risk Statements: 36/37/38-38
Safety Statements: 26-36-37
WGK Germany: 1
RTECS: RG5910000
Mildly toxic by ingestion. A severe skin irritant. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.

Specification

First Aid Measures of Linalyl acetate (CASNO.115-95-7):
Eyes:Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.
Skin:Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:Get medical aid. Wash mouth out with water.
Inhalation:Remove from exposure and move to fresh air immediately.
Storage of Linalyl acetate (CASNO.115-95-7):
Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.