Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester

Modify Date: 2025-08-25 11:58:34

Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester Structure
Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester structure
 Common Name Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester
CAS Number 7425-14-1 Molecular Weight 256.42400
Density 0.863 g/cm3 Boiling Point 288.3ºC at 760 mmHg
Molecular Formula C16H32O2 Melting Point N/A
MSDS N/A Flash Point 137.1ºC

 Names

Name 2-ethylhexyl 2-ethylhexanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.863 g/cm3
Boiling Point 288.3ºC at 760 mmHg
Molecular Formula C16H32O2
Molecular Weight 256.42400
Flash Point 137.1ºC
Exact Mass 256.24000
PSA 26.30000
LogP 4.96240
Index of Refraction 1.437
InChIKey OUCGJMIVSYHBEC-UHFFFAOYSA-N
SMILES CCCCC(CC)COC(=O)C(CC)CCCC

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MO7750000
CHEMICAL NAME :
Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester
CAS REGISTRY NUMBER :
7425-14-1
BEILSTEIN REFERENCE NO. :
1777190
LAST UPDATED :
199701
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C16-H32-O2
MOLECULAR WEIGHT :
256.48
WISWESSER LINE NOTATION :
4Y2&VO1Y4&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 :
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 into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
AJOPAA American Journal of Ophthalmology. (Ophthalmic Pub. Co., 435 N. Michigan Ave., Suite 1415, Chicago, IL 60611) Series 3: V.1- 1918- Volume(issue)/page/year: 29,1363,1946
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: -,367,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
27 gm/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: 23,95,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>20 mL/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: 23,95,1962

 Synthetic Route

Hexanal, 2-ethyl- structure

Hexanal, 2-ethyl-

CAS#:123-05-7

~94%

Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester Structure

Hexanoic acid, ...

CAS#:7425-14-1

Literature: Ogoshi, Sensuke; Hoshimoto, Yoichi; Ohashi, Masato Chemical Communications, 2010 , vol. 46, # 19 p. 3354 - 3356
2-Ethylhexanol structure

2-Ethylhexanol

CAS#:104-76-7

~92%

Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester Structure

Hexanoic acid, ...

CAS#:7425-14-1

Literature: Liu, Xiuhong; Wu, Jun; Shang, Zhicai Synthetic Communications, 2012 , vol. 42, # 1 p. 75 - 83
2-Ethylhexanol structure

2-Ethylhexanol

CAS#:104-76-7

~9%

Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester Structure

Hexanoic acid, ...

CAS#:7425-14-1

2-ethylhexanoyl fluoride structure

2-ethylhexanoyl...

CAS#:156150-09-3

Literature: Rozen, Shlomo; Ben-David, Iris Journal of Fluorine Chemistry, 1996 , vol. 76, # 2 p. 145 - 147
2-Ethylhexanol structure

2-Ethylhexanol

CAS#:104-76-7

~%

Hexanal, 2-ethyl- structure

Hexanal, 2-ethyl-

CAS#:123-05-7

2-Ethylcaproic acid structure

2-Ethylcaproic acid

CAS#:149-57-5

Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester Structure

Hexanoic acid, ...

CAS#:7425-14-1

Literature: Ghiaci; Kalbasi; Sedaghat Organic Process Research and Development, 2003 , vol. 7, # 6 p. 936 - 938
2-Ethylhexanol structure

2-Ethylhexanol

CAS#:104-76-7

~15%

2-Ethylcaproic acid structure

2-Ethylcaproic acid

CAS#:149-57-5

Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester Structure

Hexanoic acid, ...

CAS#:7425-14-1

Literature: Mohandas, T. P.; Mamman, Ajit, S.; Nair, P. Madhavan Tetrahedron, 1983 , vol. 39, # 7 p. 1187 - 1188
Hexanal, 2-ethyl- structure

Hexanal, 2-ethyl-

CAS#:123-05-7

Aluminium isopropoxide structure

Aluminium isopr...

CAS#:555-31-7

~%

Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester Structure

Hexanoic acid, ...

CAS#:7425-14-1

Literature: Kulpinski; Nord Journal of Organic Chemistry, 1943 , vol. 8, p. 260,268 Nature (London, United Kingdom), 1943 , vol. 151, p. 363
Hexanal, 2-ethyl- structure

Hexanal, 2-ethyl-

CAS#:123-05-7

~%

2-Ethylhexanol structure

2-Ethylhexanol

CAS#:104-76-7

2-Ethylcaproic acid structure

2-Ethylcaproic acid

CAS#:149-57-5

Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester Structure

Hexanoic acid, ...

CAS#:7425-14-1

Literature: Haeusermann Helvetica Chimica Acta, 1951 , vol. 34, p. 2172,2179

 Synonyms

2-Ethylhexylester kyseliny 2-ethylkapronove [Czech]
nBuCH(Et)COOCH2CH(Et)nBu
2-Aethyl-hexansaeure-(2-aethyl-hexylester)
2-Ethylhexyl-2-ethylhexanoate
HEXANOIC ACID,2-ETHYL-,2-ETHYLHEXYL ESTER
2-Ethylhexanoic acid,2-ethylhexyl ester
EINECS 231-057-1
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