3-Butenenitrile

Modify Date: 2026-07-07 12:09:03

3-Butenenitrile structure	Common Name	3-Butenenitrile
	CAS Number	109-75-1	Molecular Weight	67.089
	Density	0.834	Boiling Point	116-121 ºC
	Molecular Formula	C₄H₅N	Melting Point	-87°C
	MSDS	Chinese USA	Flash Point	23.9±0.0 °C
	Symbol	GHS02, GHS06	Signal Word	Danger

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	3-Butenenitrile
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	0.834
Boiling Point	116-121 ºC
Melting Point	-87°C
Molecular Formula	C₄H₅N
Molecular Weight	67.089
Flash Point	23.9±0.0 °C
Exact Mass	67.042198
PSA	23.79000
LogP	0.40
Vapour Pressure	16.3±0.2 mmHg at 25°C
Index of Refraction	1.402
InChIKey	SJNALLRHIVGIBI-UHFFFAOYSA-N
SMILES	C=CCC#N

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

3-Butenenitrile MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EM8050000

CHEMICAL NAME :: 3-Butenenitrile

CAS REGISTRY NUMBER :: 109-75-1

LAST UPDATED :: 199710

DATA ITEMS CITED :: 16

MOLECULAR FORMULA :: C4-H5-N

MOLECULAR WEIGHT :: 67.10

WISWESSER LINE NOTATION :: NC2U1

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: -,900,1986

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: -,900,1986 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 115 mg/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: 30,470,1969

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 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: 30,470,1969

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 150 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,18,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 1410 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: 30,470,1969

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 2500 mg/m3/4H

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 34(4),36,1969

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 132 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - muscle contraction or spasticity Gastrointestinal - nausea or vomiting

REFERENCE :: MELAAD Medicina del Lavoro. Industrial Medicine. (Via S. Barnaba, 8, 20122 Milan, Italy) V.16- 1925- Volume(issue)/page/year: 47,192,1956 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 134 mg/m3/2H/8W-I

TOXIC EFFECTS :: Endocrine - changes in thyroid weight Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 34(4),36,1989

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 134 mg/m3/2H/8W-I

TOXIC EFFECTS :: Kidney, Ureter, Bladder - changes in bladder weight Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 34(4),36,1989 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

DOSE :: 50 ppm/6H

SEX/DURATION :: female 6-20 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

REFERENCE :: FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 20,365,1993

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

DOSE :: 50 ppm/6H

SEX/DURATION :: female 6-20 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - musculoskeletal system

REFERENCE :: FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 20,365,1993 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.3 mg/m3;Skin JAN 1993

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol	GHS02, GHS06
Signal Word	Danger
Hazard Statements	H226-H301 + H331-H312-H315-H319
Precautionary Statements	P261-P280-P301 + P310-P305 + P351 + P338-P311
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	T:Toxic;
Risk Phrases	R10;R21;R23/25;R36/38
Safety Phrases	S26-S36/37/39-S45
RIDADR	UN 1992 3/PG 3
WGK Germany	3
RTECS	EM8050000
Packaging Group	III
Hazard Class	3
HS Code	2926909090

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 10
CAS#:106-95-6 allyl bromide CAS#:75-86-5 Acetone cyanohydrin CAS#:5314-34-1 2-Butenal, oxime CAS#:7319-38-2 but-3-enal
CAS#:593-60-2 bromoethene CAS#:75-05-8 Acetonitrile CAS#:65300-07-4 triphenyl(P,P,P... CAS#:151-50-8 POTASSIUM CYANIDE
CAS#:143-33-9 Sodium cyanide CAS#:2835-21-4 Allyl isocyanide
DownStream 10
CAS#:1067-99-8 4-(diethoxymeth... CAS#:3724-55-8 Methyl 3-butenoate CAS#:3524-33-2 1-Ethyl-3-methy... CAS#:461-98-3 2,6-Dimethyl-4-...
CAS#:541-35-5 Butanamide CAS#:64-17-5 Ethanol CAS#:79-39-0 Methacrylamide CAS#:44565-27-7 4-Amino-2-methy...
CAS#:3724-65-0 Crotonic acid CAS#:300-85-6 3-hydroxybutyri...

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

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%

This table lists relevant public references with title, journal and publication metadata for this compound.

In vitro metabolic conversion of the organic breakdown products of glucosinolate to goitrogenic thiocyanate anion.

J. Sci. Food Agric. 95 , 2244-51, (2015)

Glucosinolates are abundant in Brassicaceae vegetables, and they are degraded into various organic breakdown products (BPs) (R-CN, -NCS and -SCN) by myrosinase when plant tissues are damaged. This stu...

Comparative developmental toxicities of aliphatic nitriles: in vivo and in vitro observations.

Toxicol. Appl. Pharmacol. 163(2) , 149-63, (2000)

The effects on embryonic development of a series of eight saturated (acetonitrile, propionitrile, and n-butyronitrile) and unsaturated (acrylonitrile, methacrylonitrile, allylnitrile, cis-2-pentenenit...

A new unifying hypothesis for lathyrism, konzo and tropical ataxic neuropathy: nitriles are the causative agents.

Food Chem. Toxicol. 49(3) , 563-70, (2011)

Konzo and lathyrism are associated with consumption of cassava and grass pea, respectively. Cassava consumption has also been associated with a third disease, tropical ataxic neuropathy (TAN). This re...

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

Vinylacetonitrile

3-Butenenitrile

but-3-enenitrile

Allyl Cyanide

EINECS 203-701-1

MFCD00001962

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the polar surface area (PSA) of 3-Butenenitrile?

A: Polar surface area (PSA) of 3-Butenenitrile is 23.79000.

Q: What are the upstream materials of 3-Butenenitrile?

A: Related upstream materials(CAS) of 3-Butenenitrile: 106-95-6;75-86-5;5314-34-1;7319-38-2;593-60-2;75-05-8;65300-07-4;151-50-8;143-33-9;2835-21-4.

Q: What is the boiling point of 3-Butenenitrile?

A: Boiling point of 3-Butenenitrile is 116-121 ºC.

Q: What is the English name of 3-Butenenitrile?

A: The English name of 3-Butenenitrile is 3-Butenenitrile.

Q: What is the molecular weight of 3-Butenenitrile?

A: Molecular weight of 3-Butenenitrile is 67.089.

Q: What is the safety information for 3-Butenenitrile?

A: Safety information for 3-Butenenitrile: S26-S36/37/39-S45.

Q: What is the CAS number of 3-Butenenitrile?

A: CAS number of 3-Butenenitrile is 109-75-1.

Q: What English synonyms does 3-Butenenitrile have?

A: English synonyms of 3-Butenenitrile: Vinylacetonitrile, 3-Butenenitrile, but-3-enenitrile, Allyl Cyanide, EINECS 203-701-1, MFCD00001962.

Q: What is the LogP of 3-Butenenitrile?

A: LogP of 3-Butenenitrile is 0.40.

Q: What is the SMILES notation of 3-Butenenitrile?

A: SMILES notation of 3-Butenenitrile is C=CCC#N.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 3-Butenenitrile
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 3-Butenenitrile
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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3-Butenenitrile

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.