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Product No: AY5171

butylbenzene, 95%

Name: butylbenzene
Brand: Chempure

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CAS Number

104-51-8

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IUPAC name	butylbenzene
inchi	InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3
inchi key	OCKPCBLVNKHBMX-UHFFFAOYSA-N
molecular formula	C10H14
synonyms	Butylbenzene N-BUTYLBENZENE 104-51-8 1-Phenylbutane Benzene, butyl-
Compound Description	N-butylbenzene appears as a colorless liquid. Less dense than water and insoluble in water. Used to make plastics and as a solvent. Butylbenzene is an alkylbenzene that is benzene substituted by a butyl group at position 1. Butylbenzene has been reported in Solanum lycopersicum and Carica papaya with data available. Butylbenzene belongs to the family of Substituted Benzenes. These are aromatic compounds containing a benzene substituted at one or more positions.

Computed Properties

Molecular Weight:	134.22 g/mol
XLogP3:	4.4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	0
Rotatable Bond Count:	3
Exact Mass:	134.109550447 g/mol
Monoisotopic Mass:	134.109550447 g/mol
Topological Polar Surface Area:	0 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	70.1
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Flam. Liq. 3 (96.2%) Asp. Tox. 1 (55.4%) Skin Irrit. 2 (31.8%) Eye Irrit. 2 (32.5%) Aquatic Acute 1 (93%) Aquatic Chronic 1 (61.1%) Flammable liquids - Category 3 Hazardous to the aquatic environment (Acute) - Category 1 Hazardous to the aquatic environment (Long-term) - Category 1 Flammable - 2nd degree
precautionary statement codes	P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501
hazard statements	H226 (96.2%): Flammable liquid and vapor [Warning Flammable liquids] H304 (55.4%): May be fatal if swallowed and enters airways [Danger Aspiration hazard] H315 (31.8%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (32.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H400 (93%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (61.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
hazards summary	An irritant.

symptoms
carcinogen classification	default_key: No indication of carcinogenicity to humans .

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	butylbenzene
inchi	InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3
inchi key	OCKPCBLVNKHBMX-UHFFFAOYSA-N
molecular formula	C10H14
synonyms	Butylbenzene N-BUTYLBENZENE 104-51-8 1-Phenylbutane Benzene, butyl-
Compound Description	N-butylbenzene appears as a colorless liquid. Less dense than water and insoluble in water. Used to make plastics and as a solvent. Butylbenzene is an alkylbenzene that is benzene substituted by a butyl group at position 1. Butylbenzene has been reported in Solanum lycopersicum and Carica papaya with data available. Butylbenzene belongs to the family of Substituted Benzenes. These are aromatic compounds containing a benzene substituted at one or more positions.

Computed Properties

Molecular Weight:	134.22 g/mol
XLogP3:	4.4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	0
Rotatable Bond Count:	3
Exact Mass:	134.109550447 g/mol
Monoisotopic Mass:	134.109550447 g/mol
Topological Polar Surface Area:	0 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	70.1
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Flam. Liq. 3 (96.2%) Asp. Tox. 1 (55.4%) Skin Irrit. 2 (31.8%) Eye Irrit. 2 (32.5%) Aquatic Acute 1 (93%) Aquatic Chronic 1 (61.1%) Flammable liquids - Category 3 Hazardous to the aquatic environment (Acute) - Category 1 Hazardous to the aquatic environment (Long-term) - Category 1 Flammable - 2nd degree
precautionary statement codes	P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501
hazard statements	H226 (96.2%): Flammable liquid and vapor [Warning Flammable liquids] H304 (55.4%): May be fatal if swallowed and enters airways [Danger Aspiration hazard] H315 (31.8%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (32.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H400 (93%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (61.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
hazards summary	An irritant.

symptoms
carcinogen classification	default_key: No indication of carcinogenicity to humans .

Product No: AY5171

butylbenzene, 95%

Product No: AY5171

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

TOXICITY

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AY5171

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

TOXICITY

Require a Sample Certificate of Analysis (COA) ?