Butanal, 3-methoxy-

Modify Date: 2025-08-23 21:08:07

Butanal, 3-methoxy- Structure
Butanal, 3-methoxy- structure
 Common Name Butanal, 3-methoxy-
CAS Number 5281-76-5 Molecular Weight 102.13200
Density 0.887g/cm3 Boiling Point 127.8ºC at 760mmHg
Molecular Formula C5H10O2 Melting Point N/A
MSDS N/A Flash Point 26.2ºC

 Names

Name Butanal, 3-methoxy
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.887g/cm3
Boiling Point 127.8ºC at 760mmHg
Molecular Formula C5H10O2
Molecular Weight 102.13200
Flash Point 26.2ºC
Exact Mass 102.06800
PSA 26.30000
LogP 0.61030
Index of Refraction 1.386
InChIKey VVXNMKJDQVBOLT-UHFFFAOYSA-N
SMILES COC(C)CC=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ES3325000
CHEMICAL NAME :
Butyraldehyde, 3-methoxy-
CAS REGISTRY NUMBER :
5281-76-5
BEILSTEIN REFERENCE NO. :
1740323
LAST UPDATED :
199712
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C5-H10-O2
MOLECULAR WEIGHT :
102.15
WISWESSER LINE NOTATION :
VH1Y1&O1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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: -,703,1986
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: -,703,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
540 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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 :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1000 ppm/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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 :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
310 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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

 Safety Information

HS Code 2912499000

 Synthetic Route

UNII:SJ995B41AO structure

UNII:SJ995B41AO

CAS#:2517-43-3

~73%

Butanal, 3-methoxy- Structure

Butanal, 3-methoxy-

CAS#:5281-76-5

Literature: Muenster, Niels; Harms, Klaus; Koert, Ulrich Chemical Communications, 2012 , vol. 48, # 13 p. 1866 - 1867
1,1,3-trimethoxybutane structure

1,1,3-trimethox...

CAS#:10138-89-3

~%

Butanal, 3-methoxy- Structure

Butanal, 3-methoxy-

CAS#:5281-76-5

Literature: Krausz Annales de Chimie (Cachan, France), 1949 , vol. <12>4, p. 828 Full Text Show Details Wacker,A. Patent: DE561420 , 1929 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 19, p. 232
Methanol structure

Methanol

CAS#:67-56-1

Crotonaldehyde structure

Crotonaldehyde

CAS#:123-73-9

~%

Butanal, 3-methoxy- Structure

Butanal, 3-methoxy-

CAS#:5281-76-5

Literature: I.G.Farbenind. Patent: DE554949 , 1930 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 19, p. 956
Sodium Methylate structure

Sodium Methylate

CAS#:124-41-4

Crotonaldehyde structure

Crotonaldehyde

CAS#:123-73-9

~%

Butanal, 3-methoxy- Structure

Butanal, 3-methoxy-

CAS#:5281-76-5

Literature: Buettner Justus Liebigs Annalen der Chemie, 1953 , vol. 583, p. 184,188
3-methyl-2-thioxo-2,3-dihydro-4H-benzo[4,5]imidazo[2,1-b][1,3,5]thiadiazin-4-one structure

3-methyl-2-thio...

CAS#:74734-00-2

~%

Butanal, 3-methoxy- Structure

Butanal, 3-methoxy-

CAS#:5281-76-5

Literature: Houghton, Roy P.; Morgan, Alan D. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1980 , p. 756 - 758
Methanol structure

Methanol

CAS#:67-56-1

Sulfuric acid structure

Sulfuric acid

CAS#:7664-93-9

Crotonaldehyde structure

Crotonaldehyde

CAS#:123-73-9

~%

1,1,3-trimethoxybutane structure

1,1,3-trimethox...

CAS#:10138-89-3

Detail
Literature: Flaig Chem.Abstr., 1947 , p. 6189,6190 Full Text Show Details Flaig Reichsamt Wirtschaftsausbau Chem.Ber.Pruef.-Nr.093 (PB 52020) 1073 Full Text Show Details Wacker,A. Patent: DE561420 , 1929 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 19, p. 231
1,1,3-trimethoxybutane structure

1,1,3-trimethox...

CAS#:10138-89-3

Sulfuric acid structure

Sulfuric acid

CAS#:7664-93-9

~%

Butanal, 3-methoxy- Structure

Butanal, 3-methoxy-

CAS#:5281-76-5

Literature: Krausz Annales de Chimie (Cachan, France), 1949 , vol. <12>4, p. 828

 Customs

HS Code 2912499000
Summary 2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

 Synonyms

3-Methoxy butyraldehyde
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