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Substance Name: 4-Propylphenol
RN: 645-56-7
UNII: H27VG833JY
InChIKey: KLSLBUSXWBJMEC-UHFFFAOYSA-N
Molecular Formula
- C9-H12-O
Molecular Weight
- 136.1928
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 4-Propylphenol
Synonyms
- 1-Hydroxy-4-n-propylbenzene
- 4-06-00-03181 (Beilstein Handbook Reference)
- 4-n-Propylphenol
- 4-Propylphenol
- BRN 1363429
- Dihydrochavicol
- EINECS 211-446-2
- FEMA No. 3649
- Hydroxypropylbenzene, p-
- NSC 65647
- p-Propylphenol
- Phenol, 4-propyl-
- Phenol, p-propyl-
- UNII-H27VG833JY
Systematic Names
- p-Propylphenol
- Phenol, 4-propyl-
- Phenol, p-propyl-
Superlist Name
- 4-Propylphenol
Registry Numbers
CAS Registry Number
- 645-56-7
FDA UNII
- H27VG833JY
System Generated Number
- 0000645567
Structure Descriptors
InChI
InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3InChIKey
KLSLBUSXWBJMEC-UHFFFAOYSA-NSmiles
CCCc1ccc(O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 675mg/kg (675mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(7), Pg. 94, 1974. | |
| mammal (species unspecified) | LD50 | oral | 540mg/kg (540mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980. | |
| mammal (species unspecified) | LD50 | skin | 2150mg/kg (2150mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980. | |
| mouse | LD50 | intraperitoneal | 81mg/kg (81mg/kg) | Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975. | |
| mouse | LD50 | oral | 348mg/kg (348mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(7), Pg. 94, 1974. | |
| rat | LD50 | oral | 500mg/kg (500mg/kg) | Eesti NSV Teaduste Akadeemia Toimetised, Biologia. Proceedings of the Academy of Sciences of the Estonian SSR. Vol. 24, Pg. 281, 1975. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 22 | deg C | EXP | |
| Boiling Point | 232.6 | deg C | EXP | |
| pKa Dissociation Constant | 10.34 | (none) | 20 | EXP |
| log P (octanol-water) | 3.2 | (none) | EXP | |
| Water Solubility | 1280 | mg/L | 25 | EXP |
| Henry's Law Constant | 1.14E-06 | atm-m3/mole | 25 | EXP |
| Atmospheric OH Rate Constant | 4.32E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.