CAS No.77-53-2,Cedrol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	77-53-2
Name:	Cedrol
Article Data:	12

Formula:	C₁₅H₂₆O
Molecular Weight:	222.371
Synonyms:	1H-3a,7-Methanoazulen-6-ol,octahydro-3,6,8,8-tetramethyl-, [3R-(3a,3ab,6a,7b,8aa)]-;8bH-Cedran-8-ol (8CI);Cedrol(6CI,7CI);(+)-Cedrol;a-Cedrol;1H-3a,7-Methanoazulen-6-ol,octahydro-3,6,8,8-tetramethyl-, (3R,3aS,6R,7R,8aS)-;
EINECS:	201-035-6
Density:	1 g/cm³
Melting Point:	55-59 °C(lit.)
Boiling Point:	277.2 °C at 760 mmHg
Flash Point:	115.5 °C
Safety:	22-24/25
PSA:	20.23000
LogP:	3.60980

Synthetic route

: 917-54-4
methyllithium

: 52153-97-6
15-nor-3-oxo cedrane

: 77-53-2
(+)-cedrol

Conditions

Conditions	Yield
In diethyl ether Heating;

: (3R,3aS,6R,7R,8aR)-6-Hydroxy-3,6,8-trimethyl-octahydro-3a,7-methano-azulene-8-carbaldehyde

: 77-53-2
(+)-cedrol

Conditions

Conditions	Yield
(i) KOH, N2H4, HOCH2CH2OH, (ii) (heating); Multistep reaction;

: (3R,3aS,6R,7R,8aR)-8-Hydroxymethyl-3,6,8-trimethyl-octahydro-3a,7-methano-azulen-6-ol

: 77-53-2
(+)-cedrol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: CrO3, Py 2: (i) KOH, N2H4, HOCH2CH2OH, (ii) (heating) View Scheme

: 109507-91-7
3-Nor-cedrol

: 77-53-2
(+)-cedrol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: CrO3, Py 2: diethyl ether / Heating View Scheme

: 40768-85-2, 109312-44-9
3-Norcedr-2-en-3-on

: 77-53-2
(+)-cedrol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: H2 / Pd-C / ethanol 2: diethyl ether / Heating View Scheme

: 76679-86-2, 101262-59-3
(3aR)-2c-acetyl-1,1,4c-trimethyl-(6ac)-hexahydro-pentalene-3ar-carboxylic acid methyl ester

: 77-53-2
(+)-cedrol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: (i) LiAlH4, (ii) CrO3, Py, (iii) aq. KOH 2: H2 / Pd-C / ethanol 3: diethyl ether / Heating View Scheme

: 70639-04-2
(3aR)-1.1.4c-trimethyl-(6acH)-hexahydro-3H-pentalene-dicarboxylic acid-(2c.3ar)

: 77-53-2
(+)-cedrol

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 2: KOH, EtOH / Heating 4: (i) LiAlH4, (ii) CrO3, Py, (iii) aq. KOH 5: H2 / Pd-C / ethanol 6: diethyl ether / Heating View Scheme

: 70639-05-3
(-)-Norcedren-dicarbonsaeuredimethylester

: 77-53-2
(+)-cedrol

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: KOH, EtOH / Heating 3: (i) LiAlH4, (ii) CrO3, Py, (iii) aq. KOH 4: H2 / Pd-C / ethanol 5: diethyl ether / Heating View Scheme

: (3aR)-1,1,4c-trimethyl-(6acH)-hexahydro-3H-pentalene-dicarboxylic acid-(2c.3ar)-3a-methyl ester

: 77-53-2
(+)-cedrol

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 2: (i) LiAlH4, (ii) CrO3, Py, (iii) aq. KOH 3: H2 / Pd-C / ethanol 4: diethyl ether / Heating View Scheme

: C19H30O4S2

: 77-53-2
(+)-cedrol

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: (i) Raney-Ni, (ii) aq. KOH, EtOH, (iii) (racemate resolution using quinine) 3: KOH, EtOH / Heating 5: (i) LiAlH4, (ii) CrO3, Py, (iii) aq. KOH 6: H2 / Pd-C / ethanol 7: diethyl ether / Heating View Scheme

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Chemistry

The Molecular Structure of Cedrol (CAS NO.77-53-2):

Molecular Formula C₁₅H₂₆O
Molecular Weight 222.37
Melting Point: 55-59°C
Boiling Point: 273°C
Flash Point: 200 ºF
Product Categories: Industrial/Fine Chemicals
Synonyms: (+)-Cedrol ; AI3-02178 ; Cedarwood oil alcohols ; Cedrol (natural) ; EINECS 201-035-6 ; EUDESMOL ; UNII-63ZM9703BO ; a-Cedrol ; (3R-(3alpha,3Abeta,6alpha,7beta,8aalpha))-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-6-ol ; 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl- ; (3R,3aS,6R,7R,8aS)- 8-betaH-Cedran-8-ol (8CI) 8betaH-Cedran-8-ol (8CI) Cedrol (6CI,7CI)

Uses

Cedrol (CAS NO.77-53-2) can be used as a perfume fixative for variety of cosmetic compunds and the materials of Cedryl Acetate and Methyl Cedryl Ether etc.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD	intraperitoneal	> 500mg/kg (500mg/kg)		"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 8, Pg. 102, 1956.
rabbit	LD50	skin	> 5gm/kg (5000mg/kg)		Food and Cosmetics Toxicology. Vol. 13, Pg. 745, 1975.

Safety Profile

Safety Statements: 22-24/25
S22: Do not breathe dust
S24/25: Avoid contact with skin and eyes
WGK Germany: 2
RTECS: PB7728666
Human experience: 8 % solution: no irritation or sensitization.
Maximised Survey-derived Daily Intakes (MSDI-EU) : 13.00 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) : 3900 (μg/person/day)
Threshold of concern : 1800 (μg/person/day)
R 36/37/38: Irritating to eyes, respiratory system, and skin.
S 02: Keep out of the reach of children.
S 24/25: Avoid contact with skin and eyes.
S 26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36: Wear suitable protective clothing.
Dermal Toxicity(LD50): Skin-Rabbit >5.00 gm/kg