- Orcinol
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Cas Database |
| Name |
Orcinol |
EINECS | 207-984-2 |
| CAS No. | 504-15-4 | Density | 1.21 g/cm3 |
| PSA | 40.46000 | LogP | 1.40620 |
| Solubility | N/A | Melting Point |
106-112 °C(lit.) |
| Formula | C7H8O2 | Boiling Point | 287 - 290 °C |
| Molecular Weight | 124.139 | Flash Point | 159 °C |
| Transport Information | N/A | Appearance | pink-grey to pink-brown cryst. powder or crystals |
| Safety | 22-26-36-37/39 | Risk Codes | 22-36/37/38-41-37/38-20/21/22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| 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; |
Article Data | 98 |
Orcinol Synthetic route
- 89267-67-4
2-[5-(1,1-dimethyl-1-silaethyl)-3-methylphenyl]-2-methyl-2-silapropane
- 504-15-4
orcinol
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| In tetrahydrofuran at 0℃; for 4h; | 93% |
- 1279130-23-2
5-methyl-2-(2-pyridinylsulfonyl)-1,3-phenylene diacetate
- 504-15-4
orcinol
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at 20 - 50℃; | 81% |
- 504-15-4
orcinol
| Conditions | Yield |
|---|---|
| With 4,4'-di-tert-butylbiphenyl; lithium In tetrahydrofuran at 0℃; for 4h; | 73% |
| Conditions | Yield |
|---|---|
| With BBr*(CH3)2 In 1,2-dichloro-ethane at 83.5℃; for 24h; | 63.7% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| at 140℃; |
| Conditions | Yield |
|---|---|
| at 150 - 160℃; |
Orcinol Chemical Properties
Molecular Structure of Orcinol (CAS NO.504-15-4):
.png)
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
Orcinol 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 |
Orcinol Consensus Reports
EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.
Orcinol 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: 
Xn
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
Orcinol 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.
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