CAS 136-77-6|4-Hexylresorcinol
Introduction：Basic information about CAS 136-77-6|4-Hexylresorcinol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Hexylresorcinol | ||
|---|---|---|---|
| CAS Number | 136-77-6 | Molecular Weight | 194.270 |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 329.5±12.0 °C at 760 mmHg |
| Molecular Formula | C12H18O2 | Melting Point | 65-67 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 155.2±14.2 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | 4-Hexyl-1,3-benzenediol |
|---|---|
| Synonym | More Synonyms |
4-Hexylresorcinol BiologicalActivity
| Description | Hexylresorcinol is an organic compound with local anaesthetic, antiseptic and anthelmintic properties, is a potent inhibitor of mushroom tyrosinase, causing 90% loss of activity at 100 μM. |
|---|---|
| Related Catalog | Signaling Pathways >>Metabolic Enzyme/Protease >>TyrosinaseResearch Areas >>Others |
Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 329.5±12.0 °C at 760 mmHg |
| Melting Point | 65-67 °C(lit.) |
| Molecular Formula | C12H18O2 |
| Molecular Weight | 194.270 |
| Flash Point | 155.2±14.2 °C |
| Exact Mass | 194.130676 |
| PSA | 40.46000 |
| LogP | 3.88 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.540 |
| InChIKey | WFJIVOKAWHGMBH-UHFFFAOYSA-N |
| SMILES | CCCCCCc1ccc(O)cc1O |
| Stability | Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents. |
| Water Solubility | 0.05 g/100 mL (18 ºC) |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 550 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1040 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 335 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 750 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 16250 mg/kg/13W-I
- TOXIC EFFECTS :
- Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 32500 mg/kg/13W-I
- TOXIC EFFECTS :
- Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 64 gm/kg/2Y-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Endocrine - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 5 mg/kg
- SEX/DURATION :
- female 1 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - ovaries, fallopian tubes
MUTATION DATA - TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Rodent - hamster Ovary
- DOSE/DURATION :
- 18 ug/L
- REFERENCE :
- NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-330,1988
- TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Rodent - hamster Ovary
- DOSE/DURATION :
- 18 ug/L
- REFERENCE :
- NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-330,1988
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302-H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R22;R36/37/38 |
| Safety Phrases | S26-S36-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | VH1575000 |
| HS Code | 29072900 |
Customs
| HS Code | 2907299090 |
|---|---|
| Summary | 2907299090 polyphenols; phenol-alcohols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0% |
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Synonyms
| Hexylresorcinol |
| 4-Hexylresorcinol |
| MFCD00002284 |
| 1,3-Benzenediol, 4-hexyl- |
| 4-hexylbenzene-1,3-diol |
| 4-n-hexylresorcinol |
| 4-Hexyl-1,3-benzenediol |
| 4-Hexyl-1,3-dihydroxybenzene,4-Hexylresorcinol |
| EINECS 205-257-4 |
| 4-Hexylbenzol-1,3-diol |
