|
|
|
Substance Name: Butyraldehyde
RN: 123-72-8
UNII: H21352682A
InChIKey: ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
Classification Codes
- Mutation Data
- Skin / Eye Irritant
Molecular Formula
- C4-H8-O
Molecular Weight
- 72.1062
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
Names and Synonyms
Name of Substance
- Butyraldehyde
Synonyms
- 1-Butanal
- 4-01-00-03229 (Beilstein Handbook Reference)
- AI3-24198
- Aldehyde butyrique
- Aldehyde butyrique [French]
- Aldeide butirrica
- Aldeide butirrica [Italian]
- BRN 0506061
- Butal
- Butaldehyde
- Butalyde
- Butanal
- Butanaldehyde
- Butylaldehyde
- Butyral
- Butyraldehyd
- Butyraldehyd [German]
- Butyraldehyde
- Butyric aldehyde
- CCRIS 3221
- EC 204-646-6
- EINECS 204-646-6
- FEMA Number 2219
- HSDB 2798
- n-Butyraldehyde
- NCI-C56291
- NSC 62779
- UNII-H21352682A
Systematic Names
- Butanal
- Butyraldehyde
Superlist Names
- Butanal
- Butyraldehyde
- Butyraldehyde (crude)
- Butyraldehyde [UN1129] [Flammable liquid]
- n-Butyraldehyde
- UN1129
Registry Numbers
CAS Registry Number
- 123-72-8
FDA UNII
- H21352682A
System Generated Number
- 0000123728
Structure Descriptors
InChI
InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3InChIKey
ZTQSAGDEMFDKMZ-UHFFFAOYSA-NSmiles
CCCC=OToxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LC50 | inhalation | 38gm/m3 (38000mg/m3) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986. | |
| mouse | LC50 | inhalation | 44610mg/m3/2H (44610mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 30, 1982. | |
| mouse | LD50 | intraperitoneal | 1140mg/kg (1140mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 731, 1979. | |
| mouse | LD50 | subcutaneous | 2700mg/kg (2700mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC KIDNEY, URETER, AND BLADDER: HEMATURIA | Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950. |
| rabbit | LD50 | skin | 3560uL/kg (3.56mL/kg) | Union Carbide Data Sheet. Vol. 7/20/1965, | |
| rat | LCLo | inhalation | 8000ppm/4H (8000ppm) | National Technical Information Service. Vol. OTS0516688, | |
| rat | LD50 | intraperitoneal | 800mg/kg (800mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 731, 1979. | |
| rat | LD50 | oral | 2490mg/kg (2490mg/kg) | National Technical Information Service. Vol. OTS0516688, | |
| rat | LD50 | subcutaneous | 10gm/kg (10000mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC | Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -9.90E+01 | deg C | EXP | |
| Boiling Point | 74.8 | deg C | EXP | |
| log P (octanol-water) | 0.88 | (none) | EXP | |
| Water Solubility | 7.10E+04 | mg/L | 25 | EXP |
| Vapor Pressure | 111 | mm Hg | 25 | EXP |
| Henry's Law Constant | 1.15E-04 | atm-m3/mole | 25 | EXP |
| Atmospheric OH Rate Constant | 2.35E-11 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.