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Substance Name: 4-Methylbenzaldehyde
RN: 104-87-0
UNII: GAX22QZ28Q
InChIKey: FXLOVSHXALFLKQ-UHFFFAOYSA-N
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C8-H8-O
Molecular Weight
- 120.1502
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 4-Methylbenzaldehyde
Synonyms
- 4-Methylbenzaldehyde
- 4-Tolualdehyde
- AI3-24380
- Benzaldehyde, 4-methyl-
- CCRIS 2942
- EINECS 203-246-9
- FEMA No. 3068
- HSDB 5361
- NSC 2224
- p-Formyltoluene
- p-Methylbenzaldehyde
- p-Tolualdehyde
- p-Toluylaldehyde
- p-Tolylaldehyde
- para-Methylbenzaldehyde
- para-Tolualdehyde
- para-Toluyl aldehyde
- UNII-GAX22QZ28Q
Systematic Names
- Benzaldehyde, 4-methyl-
- p-Tolualdehyde
Superlist Name
- p-Tolualdehyde
Registry Numbers
CAS Registry Number
- 104-87-0
FDA UNII
- GAX22QZ28Q
Other Registry Number
- 2324860-99-1
System Generated Number
- 0000104870
Structure Descriptors
InChI
InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3InChIKey
FXLOVSHXALFLKQ-UHFFFAOYSA-NSmiles
Cc1ccc(C=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 400mg/kg (400mg/kg) | BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER | National Technical Information Service. Vol. OTS0533443, |
| mouse | LD50 | oral | 3200mg/kg (3200mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | National Technical Information Service. Vol. OTS0533443, |
| rat | LC | inhalation | > 2200mg/m3 (2200mg/m3) | National Technical Information Service. Vol. OTS0533443, | |
| rat | LD50 | intraperitoneal | 800mg/kg (800mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | National Technical Information Service. Vol. OTS0533443, |
| rat | LD50 | oral | 1600mg/kg (1600mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | National Technical Information Service. Vol. OTS0533443, |
| rat | LD50 | skin | 2500mg/kg (2500mg/kg) | National Technical Information Service. Vol. OTS0538243, |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -6.00E+00 | deg C | EXP | |
| Boiling Point | 204.5 | deg C | EXP | |
| log P (octanol-water) | 2.260 | (none) | EST | |
| Water Solubility | 2270 | mg/L | 25 | EXP |
| Vapor Pressure | 0.25 | mm Hg | 25 | EXP |
| Henry's Law Constant | 1.74E-05 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.87E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.