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Substance Name: 3-Phenylpropanol
RN: 122-97-4
UNII: U04IC2765C
InChIKey: VAJVDSVGBWFCLW-UHFFFAOYSA-N
Classification Code
- Skin / Eye Irritant
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
Results Name
- 3-Phenylpropanol
Name of Substance
- 3-Phenylpropanol-1
Synonyms
- (3-Hydroxypropyl)benzene
- 1-Hydroxy-3-phenylpropane
- 1-Propanol, 3-phenyl-
- 3-Benzenepropanol
- 3-Phenyl-1-propanol
- 3-Phenyl-1-propanol (natural)
- 3-Phenyl-n-propanol
- 3-Phenylpropanol
- 3-Phenylpropyl alcohol
- 4-06-00-03198 (Beilstein Handbook Reference)
- AI3-02067
- Benzenepropanol
- Benzylethyl alcohol
- BRN 1857542
- CCRIS 3200
- Dihydrocinnamal alcohol
- EINECS 204-587-6
- FEMA No. 2885
- gamma-Phenylpropanol
- HSDB 8266
- Hydrocinnamic alcohol
- Hydrocinnamyl alcohol
- NSC 16942
- Phenylpropyl alcohol
- UNII-U04IC2765C
Systematic Names
- 1-Propanol, 3-phenyl-
- 3-Phenylpropan-1-ol
- 3-Phenylpropanol
- Benzenepropanol
Superlist Name
- 3-Phenyl-1-propanol
Registry Numbers
CAS Registry Number
- 122-97-4
FDA UNII
- U04IC2765C
System Generated Number
- 0000122974
Structure Descriptors
InChI
InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2InChIKey
VAJVDSVGBWFCLW-UHFFFAOYSA-NSmiles
OCCCc1ccccc1Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 893, 1979. | |
| rat | LD50 | oral | 2300mg/kg (2300mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 893, 1979. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -1.80E+01 | deg C | EXP | |
| Boiling Point | 235 | deg C | EXP | |
| log P (octanol-water) | 1.88 | (none) | EXP | |
| Water Solubility | 5680 | mg/L | 25 | EXP |
| Henry's Law Constant | 2.03E-07 | atm-m3/mole | 25 | EXP |
| Atmospheric OH Rate Constant | 1.16E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.