CAS 6959-71-3|3-Butoxypropionitrile

Introduction：Basic information about CAS 6959-71-3|3-Butoxypropionitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles2
7. Synonyms

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	/
MSDS	ChineseUSA	Flash Point	88.2±13.7 °C
Symbol	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
InChIKey	AWVNJBFNHGQUQU-UHFFFAOYSA-N
SMILES	CCCCOCCC#N

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
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

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

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.

Ind. Eng. Chem. Fundam. 44(2) , 254-260, (2005)

Understanding and Successfully Applying Materials for Dye-sensitized solar cells. Desilvestro H, et al.

Material Matters 9(1) , 14-17, (2014)

Synonyms

MFCD00045643

Propanenitrile, 3-butoxy-

3-Butoxypropanenitrile

3-Butoxypropionitrile

EINECS 230-153-0

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