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504-15-4

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Basic Information
CAS No.: 504-15-4
Name: Orcinol
Article Data: 98
Molecular Structure:
Molecular Structure of 504-15-4 (Orcinol)
Formula: C7H8O2
Molecular Weight: 124.139
Synonyms: Resorcinol,5-methyl- (8CI);1,3-Dihydroxy-5-methylbenzene;1,5-Dihydroxy-3-methylbenzene;3,5-Dihydroxytoluene;3-Hydroxy-5-methylphenol;5-Methyl-1,3-benzenediol;5-Methyl-1,3-dihydroxybenzene;5-Methylresorcinol;Orcin;
EINECS: 207-984-2
Density: 1.21 g/cm3
Melting Point: 106-112 °C(lit.)
Boiling Point: 287 - 290 °C
Flash Point: 159 °C
Appearance: pink-grey to pink-brown cryst. powder or crystals
Hazard Symbols: HarmfulXn
Risk Codes: 22-36/37/38-41-37/38-20/21/22
Safety: 22-26-36-37/39
PSA: 40.46000
LogP: 1.40620
Synthetic route
89267-67-4

2-[5-(1,1-dimethyl-1-silaethyl)-3-methylphenyl]-2-methyl-2-silapropane

504-15-4

orcinol

Conditions
ConditionsYield
With methanol; 1,3-disulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.1h; Green chemistry;99%
86854-54-8

3-Trimethylstannyl-2-<(trimethylstannyl)methyl>propene

1663-67-8

malonoyl dichloride

504-15-4

orcinol

Conditions
ConditionsYield
In tetrahydrofuran at 0℃; for 4h;93%
1279130-23-2

5-methyl-2-(2-pyridinylsulfonyl)-1,3-phenylene diacetate

504-15-4

orcinol

Conditions
ConditionsYield
With sodium hydroxide In water at 20 - 50℃;81%

3-benzylsulfonyloxy-5-benzylsulfonyloxymethylphenyl benzylsulfonate

504-15-4

orcinol

Conditions
ConditionsYield
With 4,4'-di-tert-butylbiphenyl; lithium In tetrahydrofuran at 0℃; for 4h;73%
4179-19-5

1,3-dimethoxy-5-methylbenzene

504-15-4

orcinol

Conditions
ConditionsYield
With BBr*(CH3)2 In 1,2-dichloro-ethane at 83.5℃; for 24h;63.7%
4341-24-6

5-methylcyclohexan-1,3-dione

A

504-15-4

orcinol

B

76619-89-1

3-amino-5-methylphenol

Conditions
ConditionsYield
With ethene; 5%-palladium/activated carbon; ammonium acetate In 5,5-dimethyl-1,3-cyclohexadiene at 150℃; under 760.051 Torr; for 6h; Schlenk technique; Molecular sieve;A 13%
B 58%
78463-32-8

5-methyl-2-bromocyclohex-2-en-3-ol-1-one

A

504-15-4

orcinol

B

3446-04-6

4-bromo-5-methyl-1,3-benzenediol

C

78463-33-9

4,6-dibromo-5-methylresorcinol

D

3163-12-0

2,4-dibromo-5-methyl-resorcinol

Conditions
ConditionsYield
In diphenylether heating to 170-174 deg C during 1 h;A 25%
B 45%
C 14%
D 10%
97271-24-4

1,7-Bis(2-methyl-1,3-dioxolan-2-yl)-2,4,6-heptantrion

504-15-4

orcinol

Conditions
ConditionsYield
With barium dihydroxide at 100℃; for 24h;25%
67-56-1

methanol

30666-92-3

umbilicaric acid

A

504-15-4

orcinol

B

3187-58-4

methyl orsellinate

C

3465-63-2

4-Hydroxy-2-methoxy-6-methylbenzoesaeure-methylester

Conditions
ConditionsYield
at 140℃;
67-56-1

methanol

537-08-6

diploschistesic acid

A

504-15-4

orcinol

B

19104-07-5

methyl 3-hydroxy orsellinate

Conditions
ConditionsYield
at 150 - 160℃;
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    Product Name: Orcinol Synonyms: 1,3-DIHYDROXY-5-METHYLBENZENE;1,3-Benzenediol, 5-methyl-;3,5-Dihydroxytoluene,monohydra;3,5-Orcinol;3,5-Toluenediol;3-Benzenediol,5-methyl-1;3-Hydroxy-5-methylphenol;5-methyl-3-benzenediol CAS: 504-15-4 MF:

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Chemistry

Molecular Structure of Orcinol (CAS NO.504-15-4):

IUPAC Name: 5-methylbenzene-1,3-diol
CAS Number: 504-15-4
Molecular Formula: C7H8O2
Molecular Weight: 124.14
EINECS: 225-193-0 
H bond acceptors: 2
H bond donors: 2
Freely Rotating Bonds: 2
Polar Surface Area: 40.46 Å2
Index of Refraction: 1.594
Molar Refractivity: 34.84 cm3
Molar Volume: 102.5 cm3
Surface Tension: 51.6 dyne/cm
Enthalpy of Vaporization: 55.06 kJ/mol
Vapour Pressure: 0.00122 mmHg at 25°C
Density: 1.21g/cm3
Melting Point: 108 - 111°C
Boiling Point: 287 - 290°C
Flash Point: 159°C
liansport Information: 25kgs
Sensitive: Air Sensitive
Merck: 14,6864
BRN: 1071903
Product Categories: Alcohols and Derivatives; Aromatic Phenols

Toxicity Data With Reference

1.    

orl-rat LD50:844 mg/kg

    GTPPAF    Gigiena Truda i Professionalnaya Patologiya v Estonskoi SSR. Labor Hygiene and Occupational Pathology in the Estonian SSR. 8 (1972),145.
2.    

scu-rat LDLo:1000 mg/kg

    RMSRA6    Revue Medicale de la Suisse Romande. 15 (1895),561.
3.    

orl-mus LD50:772 mg/kg

    HYSAAV    Hygiene and Sanitation: English Translation of Gigiena Sanitariya. 34 (4-6),(1969),16.
4.    

ipr-mus LD50:405 mg/kg

    CTYAD8    Zhongcaoyao. Chinese Herbal Medicine. 12 (1981),410.
5.    

ivn-mus LD50:290 mg/kg

    CTYAD8    Zhongcaoyao. Chinese Herbal Medicine. 12 (1981),410.
6.    

orl-rbt LD50:2400 mg/kg

    HYSAAV    Hygiene and Sanitation: English Translation of Gigiena Sanitariya. 34 (4-6),(1969),16.
7.    

orl-gpg LD50:1687 mg/kg

    HYSAAV    Hygiene and Sanitation: English Translation of Gigiena Sanitariya. 34 (4-6),(1969),16.
8.    

scu-gpg LDLo:600 mg/kg

    RMSRA6    Revue Medicale de la Suisse Romande. 15 (1895),561.
9.    

scu-frg LDLo:50 mg/kg

    RMSRA6    Revue Medicale de la Suisse Romande. 15 (1895),561.
10.    

skn-mam LD50:7800 mg/kg

  &nb

Consensus Reports

EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

Safety Profile

Poison by subcutaneous and intravenous routes. Moderately toxic by ingestion and intraperitoneal routes. Mildly toxic by skin contact. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety Information of Orcinol (CAS NO.504-15-4):
Hazard Codes: HarmfulXn
Risk Statements: 22-36/37/38-41-37/38-20/21/22
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R41:Risk of serious damage to the eyes. 
R37/38:Irritating to respiratory system and skin. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 22-26-36-37/39
S22:Do not breathe dust. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: 2811
WGK Germany: 3
 RTECS: VH2100000
 PackingGroup: III
HS Code: 29072900

Specification

  Orcinol , with CAS number of 504-15-4, can be called 1,3-Dihydroxy-5-methylbenzene ; 1,5-Dihydroxy-3-methylbenzene ; 3,5-Dihydroxytoluene ; 3-Hydroxy-5-methylphenol ; 5-Methyl-1,3-benzenediol ; 5-Methyl-1,3-dihydroxybenzene ; 5-Methylresorcinol ; Orcin . It is a pink-grey to pink-brown cryst. powder or crystal. Orcinol (CAS NO.504-15-4) can be used in organic synthesis, pharmaceutical intermediate and also can used as analytical reagent.