3-Butoxypropionitrile

Modify Date: 2024-01-05 18:37:13

3-Butoxypropionitrile Structure
3-Butoxypropionitrile structure
 Common Name 3-Butoxypropionitrile
CAS Number 6959-71-3 Molecular Weight 127.184
Density 0.9±0.1 g/cm3 Boiling Point 215.6±13.0 °C at 760 mmHg
Molecular Formula C7H13NO Melting Point N/A
MSDS Chinese USA Flash Point 88.2±13.7 °C
Symbol GHS07
GHS07		 Signal Word Warning

 Names

Name 3-n-Butoxypropionitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.9±0.1 g/cm3
Boiling Point 215.6±13.0 °C at 760 mmHg
Molecular Formula C7H13NO
Molecular Weight 127.184
Flash Point 88.2±13.7 °C
Exact Mass 127.099716
PSA 33.02000
LogP 1.16
Vapour Pressure 0.1±0.4 mmHg at 25°C
Index of Refraction 1.417

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UG1225000
CHEMICAL NAME :
Propionitrile, 3-butoxy-
CAS REGISTRY NUMBER :
6959-71-3
BEILSTEIN REFERENCE NO. :
1747904
LAST UPDATED :
199806
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C7-H13-N-O
MOLECULAR WEIGHT :
127.21
WISWESSER LINE NOTATION :
NC2O4

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: -,918,1986
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: -,918,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
7460 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 9,135,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
8980 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)
Hazard Codes Xi
Risk Phrases R20/21/22;R36/37/38
Safety Phrases S26-S36/37/39
RIDADR 3276
WGK Germany 2
RTECS UG1225000
Packaging Group III
Hazard Class 6.1
HS Code 2926909090

 Synthetic Route

Acrylonitrile structure

Acrylonitrile

CAS#:107-13-1

Butanol structure

Butanol

CAS#:71-36-3

~%

3-Butoxypropionitrile Structure

3-Butoxypropion...

CAS#:6959-71-3

Literature: Industrial and Engineering Chemistry, , vol. 44, p. 2871 Bulletin de la Societe Chimique de France, , p. 1108
3-Methoxypropionitrile structure

3-Methoxypropio...

CAS#:110-67-8

sodium butoxide structure

sodium butoxide

CAS#:2372-45-4

~%

3-Butoxypropionitrile Structure

3-Butoxypropion...

CAS#:6959-71-3

Literature: Yakugaku Zasshi, , vol. 74, p. 756 Chemical and Pharmaceutical Bulletin, , vol. 12, p. 393 Chem.Abstr., , p. 11663
Butyl formate structure

Butyl formate

CAS#:592-84-7

hydracrylonitrile structure

hydracrylonitrile

CAS#:109-78-4

~%

3-Butoxypropionitrile Structure

3-Butoxypropion...

CAS#:6959-71-3

Literature: Zhurnal Obshchei Khimii, , vol. 17, p. 272 Chem. Zentralbl., , vol. 119, p. 521

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Articles2

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Amido-imidol tautomerization by acid-catalyzed addition of nitriles to 16-hydroxyhexadec-cis-9-enoic acid: A novel route for 9-[substituted amido]-16-ol-hexadecanoic acids, and their biological importance and possible industrial utilization. Hosamani KM and Sattigeri RM.

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 Synonyms

MFCD00045643
Propanenitrile, 3-butoxy-
3-Butoxypropanenitrile
3-Butoxypropionitrile
EINECS 230-153-0
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