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Substance Name: Benzaldehyde [NF]
RN: 100-52-7
UNII: TA269SD04T
InChIKey: HUMNYLRZRPPJDN-UHFFFAOYSA-N
Classification Codes
- Agricultural Chemical
- Drug / Therapeutic Agent
- Insect Attractant, Repellent and Chemosterilant
- Mutation Data
- Pharmaceutic Aid (Flavor)
- Skin / Eye Irritant
- Tumor Data
Molecular Formula
- C7-H6-O
Molecular Weight
- 106.1234
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Artificial almond oil
- Benzaldehyde
- Benzaldehyde [NF]
Synonyms
- AI3-09931
- Almond artificial essential oil
- Artificial almond oil
- Artificial essential oil of almond
- Benzaldehyde
- Benzaldehyde (natural)
- Benzaldehyde FFC
- Benzene carbaldehyde
- Benzene carboxaldehyde
- Benzenecarbonal
- Benzenecarboxaldehyde
- Benzenemethylal
- Benzoic aldehyde
- Bitter almond oil, synthetic
- Caswell No. 076
- CCRIS 2376
- EC 202-860-4
- EINECS 202-860-4
- EPA Pesticide Chemical Code 008601
- FEMA No. 2127
- HSDB 388
- NCI-C56133
- NSC 7917
- Oil of bitter almond
- Phenylmethanal
- Synthetic oil of bitter almond
- UNII-TA269SD04T
Systematic Name
- Benzaldehyde
Superlist Names
- Benzaldehyde
- Benzaldehyde [UN1990] [Class 9]
- UN1990
Registry Numbers
CAS Registry Number
- 100-52-7
FDA UNII
- TA269SD04T
System Generated Number
- 0000100527
Structure Descriptors
InChI
InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6HInChIKey
HUMNYLRZRPPJDN-UHFFFAOYSA-NSmiles
O=Cc1ccccc1Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 1gm/kg (1000mg/kg) | KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE BEHAVIORAL: TREMOR | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
| mammal (species unspecified) | LD50 | oral | 2020mg/kg (2020mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974. | |
| mouse | LC | inhalation | > 500mg/m3 (500mg/m3) | SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(11), Pg. 40, 1974. |
| mouse | LD50 | intraperitoneal | 9mg/kg (9mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: TREMOR | European Journal of Toxicology and Environmental Hygiene. Vol. 9, Pg. 99, 1976. |
| mouse | LD50 | oral | 28mg/kg (28mg/kg) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR | European Journal of Toxicology and Environmental Hygiene. Vol. 9, Pg. 99, 1976. |
| rabbit | LD50 | subcutaneous | 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 14, Pg. 693, 1976. | |
| rat | LC | inhalation | > 500mg/m3 (500mg/m3) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(11), Pg. 40, 1974. |
| rat | LD50 | oral | 1300mg/kg (1300mg/kg) | BEHAVIORAL: COMA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
| rat | LDLo | subcutaneous | 5gm/kg (5000mg/kg) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 27, Pg. 163, 1922. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -2.60E+01 | deg C | EXP | |
| Boiling Point | 179 | deg C | EXP | |
| log P (octanol-water) | 1.48 | (none) | EXP | |
| Water Solubility | 6570 | mg/L | 25 | EXP |
| Vapor Pressure | 0.127 | mm Hg | 25 | EXP |
| Henry's Law Constant | 2.67E-05 | atm-m3/mole | 25 | EXP |
| Atmospheric OH Rate Constant | 1.29E-11 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.