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Name	alpha-Cedrene	EINECS	207-418-4
CAS No.	469-61-4	Density	0.932
PSA	0.00000	LogP	4.41500
Solubility	N/A	Melting Point	261-262°C
Formula	C15H24	Boiling Point	261-262 ºC
Molecular Weight	204.356	Flash Point	110.2°C
Transport Information	N/A	Appearance	N/A
Safety	A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.	Risk Codes	36/38-50/53
Molecular Structure		Hazard Symbols
Synonyms	1H-3a,7-Methanoazulene,2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3R-(3a,3ab,7b,8aa)]-; Cedr-8-ene (8CI); a-Cedrene (6CI,7CI); (-)-Cedrene; (-)-a-Cedrene; Levo-a-cedrene; [3R-(3a,3ab,7b,8aa)]-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene	Article Data	37

alpha-Cedrene Synthetic route

: cedaranyl alcohol

: 469-61-4
alpha-cedrene

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In acetonitrile at 50℃; for 0.5h;	96%

: 77-54-3
(+)-cedryl acetate

: 469-61-4
alpha-cedrene

Conditions

Conditions	Yield
With tetrafluoroboric acid In 1,4-dioxane at 100℃; for 1h;	93%

: 1262998-09-3
cedrenone

: 469-61-4
alpha-cedrene

Conditions

Conditions	Yield
Stage #1: cedrenone With toluene-4-sulfonic acid hydrazide In ethanol for 2.5h; Caglioti Reductive Elimination; Reflux; Stage #2: With sodium tetrahydroborate In tetrahydrofuran; water for 2h; Reflux;	92%
With potassium hydroxide; hydrazine In diethylene glycol at 125 - 215℃; for 60h; Wolff-Kishner reduction; Inert atmosphere;	52%

: 77-54-3
(+)-cedryl acetate

A: 546-28-1
β‐cedrene

B: 469-61-4
alpha-cedrene

Conditions

Conditions	Yield
With acetic acid; hexacarbonyl molybdenum In tetrahydrofuran at 110℃; for 48h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
With acetic acid; In 1,4-dioxane at 100℃; for 4h; Product distribution; other tertiary alcohols and acetates; various catalysts and conditions;

: 77-53-2
(+)-cedrol

: 469-61-4
alpha-cedrene

: 13567-45-8
9α-hydroxycedrane

: 469-61-4
alpha-cedrene

Conditions

Conditions	Yield
With trichlorophosphate In pyridine; ethanol at 0℃; for 19h; Heating;	60 mg

: 75-15-0
carbon disulfide

: 77-53-2
(+)-cedrol

: 74-88-4
methyl iodide

A: 546-28-1
β‐cedrene

B: 469-61-4
alpha-cedrene

C: 35812-25-0
Dithiocarbonic acid S-methyl ester O-((3R,3aS,6R,7R,8aS)-3,6,8,8-tetramethyl-octahydro-3a,7-methano-azulen-6-yl) ester

Conditions

Conditions	Yield
Yield given. Multistep reaction;

...Expand

: 77-53-2
(+)-cedrol

A: 546-28-1
β‐cedrene

B: 469-61-4
alpha-cedrene

Conditions

Conditions	Yield
With pyridine; trichlorophosphate In toluene for 16h; Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

cedrol: cedrol

: 469-61-4
alpha-cedrene

Conditions

Conditions	Yield
With formic acid

chlorocedrene: chlorocedrene

: 469-61-4
alpha-cedrene

Conditions

Conditions	Yield
With ethanol; sodium

alpha-Cedrene Chemical Properties

Product Name: (-)-Alpha-cedrene
Synonyms: (3R-(3alpha,3Abeta,7beta,8aalpha))-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene ; 1H-3a,7-methanoazulene, 2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-, (3R,3aS,7S,8aS)- ; alpha-Cedrene ; Cedr-8-ene ; Levo-alpha-cedrene
Product Categories: Industrial/Fine Chemicals
CAS NO: 469-61-4
Molecular Formula of alpha-Cedrene (CAS NO.469-61-4) : C₁₅H₂₄
Molecular Weight of alpha-Cedrene (CAS NO.469-61-4) : 204.35
Molecular Structure of alpha-Cedrene (CAS NO.469-61-4) :
EINECS: 207-418-4
Mol File: 469-61-4.mol
Index of Refraction: 1.515
Surface Tension: 32 dyne/cm
Density: 0.94 g/cm³
Flash Point: 110.2 °C
Enthalpy of Vaporization: 48.01 kJ/mol
Boiling Point: 262.5 °C at 760 mmHg
Vapour Pressure: 0.0177 mmHg at 25°C
Alpha : -88 º(c=10%, EtOH)

alpha-Cedrene Toxicity Data With Reference

skn-rbt 500 mg/24H MLD

FCTXAV Food and Cosmetics Toxicology. 16 (1978),637.

alpha-Cedrene Consensus Reports

Reported in EPA TSCA Inventory.

alpha-Cedrene Safety Profile

A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes Xi, Dangerous N
Risk Statements 36/38-50/53
R36/38:Irritating to eyes and skin.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements 26-60-61-24/25-23
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S24/25:Avoid contact with skin and eyes.
S23:Do not breathe vapour.
RIDADR UN 3082 9/PG 3
WGK Germany 2
RTECS PB7725000

alpha-Cedrene Specification

Category: Toxic Substances
To stimulate the data: skin - rabbit 500 mg / 24 hours with mild
Flammable hazardous characteristics: thermal decomposition of spicy stimulating smoke
Storage features: low-temperature air drying the Treasury
Fire-extinguishing agent: water, carbon dioxide, foam, dry powder

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