CAS No.4602-84-0,Farnesol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4602-84-0
Name:	Farnesol
Article Data:	19

Formula:	C₁₅H₂₆O
Molecular Weight:	222.371
Synonyms:	Farnesol(6CI);3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol;FCI 119a;Farnesyl alcohol;NSC 60597;Nikkosome;
EINECS:	225-004-1
Density:	0.875 g/cm³
Melting Point:	25°C
Boiling Point:	283.4 °C at 760 mmHg
Flash Point:	112.5 °C
Solubility:	insoluble
Appearance:	colourless liquid with a floral odour
Hazard Symbols:	Xi
Risk Codes:	24/25-22
Safety:	24/25-22
PSA:	20.23000
LogP:	4.39790

Synthetic route

: 6784-45-8
1-chloro-3,7,11-trimethyldodeca-2,6,10-triene

: 4602-84-0
farnesol

Conditions

Conditions	Yield
With N-chloro-succinimide In dichloromethane at 0 - 20℃; for 1.25h;	98%

: 10485-70-8
methyl 3,7,11-trimethyldodeca-2,6,10-trienoate

: 4602-84-0
farnesol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride	85%

: 20723-88-0
ethyl 3,7,11-trimethyldodeca-2,6,10-trienoate

: 4602-84-0
farnesol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride	85%

: 7212-44-4
(+/-)-nerolidol

A: 4602-84-0
farnesol

B: 515-69-5, 23089-26-1, 23178-88-3, 25428-43-7, 72059-10-0, 72691-24-8, 76738-75-5, 78148-59-1, 123877-54-3
bisabolol

C: 495-62-5, 90458-95-0, 5957-36-8
γ-bisabolene

Conditions

Conditions	Yield
With perchloric acid; acetone at 15 - 20℃; for 24.25h; Product distribution / selectivity;	A 15.3% B 21.3% C 57.3%
With perchloric acid; trifluorormethanesulfonic acid; acetone In water at 15 - 20℃; for 8.16667h; Product distribution / selectivity;	A 1.8% B 52.7% C 16.2%
With perchloric acid; methanesulfonic acid; acetone In water at 15 - 20℃; for 24.1667h; Product distribution / selectivity;	A 1.9% B 51.7% C 16.2%

...Expand

: 19317-11-4
farnesal

: 4602-84-0
farnesol

Conditions

Conditions	Yield
With sodium amalgam; ethanol; acetic acid at 0℃;
With potassium phosphate; recombinant rat brain aldo-keto reductase R1B10; NADP In methanol Kinetics; Enzymatic reaction;
With rabbit 3-hydroxyhexobarbital dehydrogenase (AKR1C29); NADPH In aq. phosphate buffer; ethyl acetate at 37℃; for 0.5h; pH=7.4; Catalytic behavior; Kinetics; Enzymatic reaction;

: 7212-44-4
(+/-)-nerolidol

: 108-24-7
acetic anhydride

: 15719-64-9, 15719-76-3, 97762-63-5
methylammonium carbonate

A: 125037-13-0
cis-α-farnesene

B: 4602-84-0
farnesol

Conditions

Conditions	Yield
at 120 - 140℃; nachfolgendes Kochen des Reaktionsprodukts mit alkoh.Kalilauge im Wasserstoffstrom; dextrorotatory form of 2.6.10-trimethyl-dodecatrien-(2.6.11)-ol-(10);

...Expand

: 7212-44-4
(+/-)-nerolidol

: 108-24-7
acetic anhydride

A: 125037-13-0
cis-α-farnesene

B: 4602-84-0
farnesol

Conditions

Conditions	Yield
nachfolgendes Kochen des Reaktionsprodukts mit alkoh.Kalilauge im Wasserstoffstrom; inactive form of 2.6.10-trimethyl-dodecatrien-(2.6.11)-ol-(10);

...Expand

: 7212-44-4
(+/-)-nerolidol

: 108-24-7
acetic anhydride

: 4602-84-0
farnesol

Conditions

Conditions	Yield
at 120 - 140℃; nachfolgenden Kochen des Reaktionprodukts mit alkoh.Kalilauge im Wasserstoffstrom;

: 64-19-7
acetic acid

: 78-79-5
isoprene

: 4602-84-0
farnesol

Conditions

Conditions	Yield
With sulfuric acid; copper (I) acetate; hydroquinone at 24℃; und folgendes Verseifen der erhaltenen Ester mit methylalkoh.KOH;

: 7437-61-8
2-methyl-3,4-epoxy-1-butene

: 72132-87-7
geranyl trimethylstannane

: 4602-84-0
farnesol

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate; 1,8-diazabicyclo[5.4.0]undec-7-ene 1.) CH2Cl2, -78 deg C, 0.5 h, 2.) 190-195 deg C, 2 h; Yield given. Multistep reaction;

Raw Materials

2387-68-0

108-24-7

372-97-4

64-19-7

64-18-6

Downstream Products

64-18-6

123-76-2

515-69-5

19317-11-4

626-96-0

10485-70-8

762-29-8

Total:73 Page 1 of 2 1 2 Next>>

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Chemistry

Molecular structure of Farnesol (CAS NO.4602-84-0) is:

Product Name: Farnesol
CAS Registry Number: 4602-84-0
IUPAC Name: (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
Molecular Weight: 222.36634 [g/mol]
Molecular Formula: C₁₅H₂₆O
XLogP3-AA: 4.8
H-Bond Donor: 1
H-Bond Acceptor: 1
EINECS: 225-004-1
Refractive index: n20/D 1.490(lit.)
Storage temp.: -20°C
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
Surface Tension: 30.3 dyne/cm
Density: 0.875 g/cm³
Flash Point: 112.5 °C
Enthalpy of Vaporization: 60.62 kJ/mol
Boiling Point: 283.4 °C at 760 mmHg
Vapour Pressure: 0.00037 mmHg at 25°C
Product Categories: Biochemistry;Terpenes;Terpenes (Others)

History

Farnesol (CAS NO.4602-84-0) is from a flower extract with a long history of use in perfumery. The pure substance farnesol was named (ca. 1900-1905) from the type species Acacia farnesiana, the Farnese acacia, the flowers of which provided it commercially, as a floral essence. This particular acacia species in turn is named after Odoardo Cardinal Farnese (1573-1626) of the notable Italian Farnese family which (from 1550 though the 17th century) maintained some of the first private European botanical gardens in the Farnese gardens in Rome. The addition of the -ol ending results from it being chemically an alcohol.The plant itself was brought to the Farnese gardens from the Caribbean and Central America, where it originates.

Uses

Farnesol (CAS NO.4602-84-0) is the building block of most (possibly all) acyclic sesquiterpenoids and is an important starting compound for organic synthesis. It is used in perfumery to emphasize the odors of sweet floral perfumes. It is especially used in lilac perfumes.It is a natural pesticide for mites and is a pheromone for several other insects.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	443mg/kg (443mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ANTIPSYCHOTIC	Therapie. Vol. 27, Pg. 893, 1972.
mouse	LD50	oral	7400mg/kg (7400mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ANTIPSYCHOTIC	Therapie. Vol. 27, Pg. 893, 1972.
rat	LD50	oral	6gm/kg (6000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ANTIPSYCHOTIC	Therapie. Vol. 27, Pg. 893, 1972.

Safety Profile

Hazard Codes: Xi
Safety Statements: 24/25-22
R24/25:Toxic in contact with skin and if swallowed.
R22:Harmful if swallowed.
WGK Germany: 3
RTECS: JR4979000
F: 8
Hazard Note: Irritant

Specification

Farnesol , its cas register number is 4602-84-0. It also can be called 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl- ; 3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol ; 3,7,11-Trimethyl-2,6,10-dodecatrienol ; Farnesyl alcohol .It is a colorless liquid with a delicate floral odor. It is a natural organic compound which is an acyclic sesquiterpene alcohol found as a colorless liquid. It is insoluble in water, but miscible with oils. It is the alcohol derivative of Farnesol Pyrophosphate. It is the building block of most (possibly all) acyclic sesquiterpenoids and is an important starting compound for organic synthesis.It is present in many essential oils such as citronella, neroli, cyclamen, lemon grass, tuberose, rose, musk, balsam and tolu. It is used in perfumery to emphasize the odors of sweet floral perfumes. Its method of action for enhancing perfume scent is as a co-solvent that regulates the volatility of the odorants. It is especially used in lilac perfumes.It is a natural pesticide for mites and is a pheromone for several other insects.