3-Butanolal

Modify Date: 2025-08-20 19:09:09

3-Butanolal Structure
3-Butanolal structure
 Common Name 3-Butanolal
CAS Number 107-89-1 Molecular Weight 88.105
Density 1.0±0.1 g/cm3 Boiling Point 162.2±23.0 °C at 760 mmHg
Molecular Formula C4H8O2 Melting Point -88ºC
MSDS Chinese USA Flash Point 58.7±15.2 °C

 Names

Name 3-hydroxybutyraldehyde
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 162.2±23.0 °C at 760 mmHg
Melting Point -88ºC
Molecular Formula C4H8O2
Molecular Weight 88.105
Flash Point 58.7±15.2 °C
Exact Mass 88.052429
PSA 37.30000
LogP -0.77
Vapour Pressure 0.8±0.7 mmHg at 25°C
Index of Refraction 1.410
InChIKey HSJKGGMUJITCBW-UHFFFAOYSA-N
SMILES CC(O)CC=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ES3150000
CHEMICAL NAME :
Butyraldehyde, 3-hydroxy-
CAS REGISTRY NUMBER :
107-89-1
BEILSTEIN REFERENCE NO. :
1735845
LAST UPDATED :
199701
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C4-H8-O2
MOLECULAR WEIGHT :
88.12
WISWESSER LINE NOTATION :
VH1YQ1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,649,1986
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 4/21/1967
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,649,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,60,1949
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
140 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 4/21/1967 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3033 No. of Facilities: 1067 (estimated) No. of Industries: 19 No. of Occupations: 31 No. of Employees: 37212 (estimated) No. of Female Employees: 11951 (estimated)

 Synthetic Route

 Customs

HS Code 2912491000
Summary 2912491000. other aldehyde-alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

 Synonyms

Aldol
3-hydroxy-butana
Butanal, 3-hydroxy-
3-Hydroxybutanal
6-HYDROXY-BUTANAL
EINECS 203-530-2
Butanal,3-hydroxy
β-Hydroxybutyraldehyde
3-Butanolal
ACETALDOL
Oxybutanal
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