2-Ethyl-1-butanol

HCID 7358CAS 97-95-0

Basic information

Standard SMILES
CCC(CC)CO
InChIKey
TZYRSLHNPKPEFV-UHFFFAOYSA-N
Molecular formula
C6H14O
Average molar mass
102.17 g/mol
Monoisotopic mass
102.10446507

Overview

Flash point of 137 °F. Less dense than water and slightly soluble in water. Vapors are heavier than air. Used as a solvent and in the manufacture of pharmaceuticals.

Names & identifiers

Preferred name
2-Ethyl-1-butanol
IUPAC
2-ethylbutan-1-ol
English name
2-Ethyl-1-butanol
Molecular formula
C6H14O
Molecular weight
0

Names & synonyms

2-Ethyl-1-butanol2-Ethylbutan-1-ol97-95-02-Ethylbutanol1-Butanol, 2-ethyl-2-Ethylbutyl alcoholPseudohexyl alcohol3-MethylolpentaneEthylbutanol2-Ethylbutanol-13-Pentylcarbinolsec-Pentylcarbinol
Show more names
ETHYL BUTANOLDTXSID204141628002VFS3HNSC-8858DTXCID0021416RefChem:596146202-621-4sec-Hexyl alcohol

Database identifiers

CAS
97-95-0
PubChem CID
7358
DTXSID
DTXSID2041416
ChEMBL
CHEMBL3181836
UNII
28002VFS3H
EC Number
202-621-4
Nikkaji
J55.485E

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
7

Experimental & physicochemical properties

Chemical ClassesFlammable agents - 2nd degree
SolventsSolvents -> Alcohols (<C12)
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (2-Ethyl-1-butanol) -> IFRA transparency List
LogP1.78
Density · 2 items

0.834 at 68 °F (USCG, 1999) - Less dense than water; will float

0.8326 @ 20 °C/4 °C

Physicochemical properties

Melting point
-15 °C · <-15 °C
Boiling point
146.27 °C · 146.27 °C
Density
0.8326 g/cm3 · 0.8326 g/cm3
pka
15.05 · 15.05±0.10(Predicted)
Symbol(GHS)
2 · GHS02,GHS07
Signal word
Warning

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 2.6% (11 of 419) of reports.

Warning

H226 (34.8%): Flammable liquid and vapor [Warning Flammable liquids]

Hazard information

Regulatory Information · 5 items

Chemical: 1-Butanol, 2-ethyl-

1-Butanol, 2-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 2-ethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 05-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31751

Ethylbutanol: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
DOT LabelFlammable Liquid
Fire Hazards · 2 items

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Fire Potential · 2 items

COMBUSTIBLE.

MODERATE, WHEN EXPOSED TO HEAT OR FLAME; CAN REACT WITH OXIDIZING MATERIALS.

Health Hazards · 2 items

Liquid causes eye burns. Vapors may be mildly irritating to nose and throat. (USCG, 1999)

· May cause toxic effects if inhaled or absorbed through skin.

Safety & protection

Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Accidental Release Measures · 2 items

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 items

Remove to fresh air. Remove contaminated clothing. Wash affected skin areas with water. Flush eyes with water for at least 15 min. and get medical care. (USCG, 1999)

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Fire Fighting ProceduresDRY CHEMICAL, CO2, FOAM, FOG.
Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome
Human Toxicity Excerpts · 2 items

SUMMARY TOXICITY STATEMENT; ACUTE: MODERATE VIA ORAL, DERMAL & PROBABLY INHALATION ROUTES. MODERATE= MAY CAUSE REVERSIBLE OR IRREVERSIBLE CHANGES TO EXPOSED TISSUE, NOT PERMANENT INJURY OR DEATH; CAN CAUSE CONSIDERABLE DISCOMFORT.

LOW TOXICITY.

Non-Human Toxicity Excerpts · 3 items

SKIN IRRITATION DEVELOPED IN RABBITS GIVEN CAPILLARY INJECTION OF 2-ETHYLBUTYL ALCOHOL. MODERATE SKIN IRRITATION DEVELOPED IN GUINEA PIGS. CONCN VAPOR INHALED BY RATS FOR 8 HR CAUSED NO DEATHS.

FROM RESULTS OF ANIMAL EXPT...2-ETHYL BUTANOL APPEARS TO BE MORE TOXIC BY ORAL ADMIN & SKIN ABSORPTION THAN METHYL AMYL ALCOHOL.

2-ETHYLBUTANOL-1 RATED 9 ON RABBIT EYES. ...TESTED EXTERNALLY ON EYES OF RABBITS &...RATED NUMERICALLY ON SCALE OF 1-10 ACCORDING TO DEGREE OF INJURY... AFTER 24 HR /OBSERVATION/, PAYING PARTICULAR ATTENTION TO CONDITION OF CORNEA. MOST SEVERE INJURIES HAVE BEEN RATED 10.

Safety data

Signal word
Warning
Symbol(GHS)
GHS02,GHS07
Hazard statements
H226-H302+H312
Precautionary statements
P210-P233-P240-P280-P301+P312-P303+P361+P353

Chemistry & industry

Pharmacology

Metabolism/Metabolites...2-ETHYLBUTANOL CONJUGATES... WITH GLUCURONIC ACID.
Absorption, Distribution and ExcretionRABBITS EXCRETED 40% OF INGESTED DOSE OF 2-ETHYLBUTYL ALCOHOL AS URINARY GLUCURONIDE...SMALL AMT OF METHYL N-PROPYL KETONE IS ALSO EXCRETED IN RABBIT URINE FOLLOWING INGESTION OF 2-ETHYLBUTYL ALCOHOL.

Uses & manufacturing

Uses · 4 items

Used as solvent for oils, resins, waxes, dyes, lacquers, and printing inks; to make perfumes, drugs, surface active agents, lubricants, and flavors; [HSDB] Used to make penetrating oils, corrosion inhibitors, plasticizers, and perfumes; as cleaning agent for printed circuits; and to improve flow of paints and varnishes; [CHEMINFO]

Painting (Solvents) [Category: Paint]

SOLVENT FOR OILS, RESINS, WAXES, DYES; DILUENT; SYN OF PERFUMES, DRUGS; FLAVORING

SOLVENT FOR PRINTING INKS; COMPONENT IN LACQUERS; MFR OF SURFACE ACTIVE AGENTS, SYNTHETIC LUBRICANTS, AND LUBRICANT ADDITIVES

U.S. Exports(1984) 1.39X10+9 g/ALL HEXYL ALCOHOLS/
U.S. Imports(1984) 2.93X10+8 g/ALL HEXYL ALCOHOLS/
U.S. Production · 2 items

2022: <50,000 lb

(1984) 1.28X10+11 g/ALCOHOLS C11 OR LOWER/

Consumer UsesFragrance
Methods of Manufacturing · 2 items

2-ETHYLBUTYL ALCOHOL CAN BE PREPARED COMMERCIALLY BY ALDOL CONDENSATION OF ACETALDEHYDE & BUTYRALDEHYDE.

PRODUCED INDUSTRIALLY BY THE CONDENSATION OF ACETALDEHYDE AND BUTYRALDEHYDE IN DILUTE CAUSTIC SOLUTION FOLLOWED BY HYDROGENATION OF THE ACROLEIN INTERMEDIATE

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]

Related reactions

45 records

Linked notes

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