2-Ethyl-1-butanol

Modify Date: 2026-07-02 00:48:35

2-Ethyl-1-butanol Structure
2-Ethyl-1-butanol structure
 Common Name 2-Ethyl-1-butanol
CAS Number 97-95-0 Molecular Weight 102.175
Density 0.8±0.1 g/cm3 Boiling Point 146.5±0.0 °C at 760 mmHg
Molecular Formula C6H14O Melting Point −15 °C(lit.)
MSDS Chinese USA Flash Point 58.3±0.0 °C
Symbol GHS07
GHS07		 Signal Word Warning

 Names

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

Name 2-Ethyl-1-Butanol
Synonym More Synonyms

 Chemical & Physical Properties

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

Density 0.8±0.1 g/cm3
Boiling Point 146.5±0.0 °C at 760 mmHg
Melting Point −15 °C(lit.)
Molecular Formula C6H14O
Molecular Weight 102.175
Flash Point 58.3±0.0 °C
Exact Mass 102.104462
PSA 20.23000
LogP 1.75
Vapour Pressure 1.8±0.5 mmHg at 25°C
Index of Refraction 1.414
InChIKey TZYRSLHNPKPEFV-UHFFFAOYSA-N
SMILES CCC(CC)CO

 MSDS

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

 Toxicological Information

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EL3850000
CHEMICAL NAME :
1-Butanol, 2-ethyl-
CAS REGISTRY NUMBER :
97-95-0
BEILSTEIN REFERENCE NO. :
1731254
LAST UPDATED :
199806
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C6-H14-O
MOLECULAR WEIGHT :
102.20
WISWESSER LINE NOTATION :
Q1Y2&2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 12/14/1971 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1850 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 :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
38MKAJ "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4612,1982
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 10,453,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 82,377,1944
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1260 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
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
450 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
38MKAJ "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4612,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84392 No. of Facilities: 28 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 476 (estimated)

 Safety Information

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

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H312
Precautionary Statements P280
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn:Harmful;
Risk Phrases R21/22
Safety Phrases S36
RIDADR UN 2275 3/PG 3
WGK Germany 1
RTECS EL3850000
Packaging Group III
Hazard Class 3
HS Code 2905199090

 Synthetic Route

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

 Customs

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

HS Code 2905199090
Summary 2905199090. saturated monohydric alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

 2-Ethyl-1-butanolBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
Name: qHTS assay to identify small molecule antagonists of the peroxisome proliferator-acti...
Source: 824
Target: N/A
External Id: PPARGV841
Name: qHTS assay to identify small molecule agonists of the TGF-beta/Smad signaling pathway...
Source: 824
Target: N/A
External Id: TGF788
Name: qHTS assay to identify small molecule antagonists of the TGF-beta/Smad signaling path...
Source: 824
Target: N/A
External Id: TGF602
Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cell fr...
Source: 824
Target: N/A
External Id: SPEC167MG
Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
Name: qHTS assay to identify small molecule agonists of the peroxisome proliferator-activat...
Source: 824
Target: N/A
External Id: PPARDV813
Name: qHTS assay to test for compound auto fluorescence at 590 nm (red) in HEK293 cell free...
Source: 824
Target: N/A
External Id: SPEC167MR
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cells
Source: 824
Target: N/A
External Id: SPEC167CG
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 Synonyms

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

2-Ethyl-1-butanol
2-ethylbutan-1-ol
MFCD00004744
EINECS 202-621-4

 2-Ethyl-1-butanol | FAQ

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

Q: What English synonyms does 2-Ethyl-1-Butanol have?
A: English synonyms of 2-Ethyl-1-Butanol: 2-Ethyl-1-butanol, 2-ethylbutan-1-ol, MFCD00004744, EINECS 202-621-4.
Q: What is the polar surface area (PSA) of 2-Ethyl-1-Butanol?
A: Polar surface area (PSA) of 2-Ethyl-1-Butanol is 20.23000.
Q: What is the InChIKey of 2-Ethyl-1-Butanol?
A: InChIKey of 2-Ethyl-1-Butanol is TZYRSLHNPKPEFV-UHFFFAOYSA-N.
Q: What is the molecular formula of 2-Ethyl-1-Butanol?
A: Molecular formula of 2-Ethyl-1-Butanol is C6H14O.
Q: What is the English name of 2-Ethyl-1-Butanol?
A: The English name of 2-Ethyl-1-Butanol is 2-Ethyl-1-Butanol.
Q: What is the melting point of 2-Ethyl-1-Butanol?
A: Melting point of 2-Ethyl-1-Butanol is −15 °C(lit.).
Q: What is the boiling point of 2-Ethyl-1-Butanol?
A: Boiling point of 2-Ethyl-1-Butanol is 146.5±0.0 °C at 760 mmHg.
Q: What is the molecular weight of 2-Ethyl-1-Butanol?
A: Molecular weight of 2-Ethyl-1-Butanol is 102.175.
Q: What is the LogP of 2-Ethyl-1-Butanol?
A: LogP of 2-Ethyl-1-Butanol is 1.75.
Q: What is the SMILES notation of 2-Ethyl-1-Butanol?
A: SMILES notation of 2-Ethyl-1-Butanol is CCC(CC)CO.

 2-Ethyl-1-butanolfactory

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.
Henan Tianfu Chemical Co., Ltd.
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