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

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Names

[ Name ]:
Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester

[Synonym ]:
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

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

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

Hexanal, 2-ethyl-
2-Ethylhexanol
Aluminium isopropoxide

DownStream

Related Compounds

2-ethylhexyl 2-ethylbutanoate
[3-(2-ethylhexoxy)-2-hydroxypropyl] 2-ethylhexanoate
2-Hydroxypropyl 2-ethylhexanoate
2-octyldodecyl 2-ethylhexanoate
2,3-dihydroxypropyl 2-ethylhexanoate
2-ethylhexyl 2,4-dimethylhexanoate
4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
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5-(Difluoromethoxy)-1'-methylspiro[indoline-3,4'-piperidine]
2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
(4-Methyl-tetrahydro-furan-2-yl)-methanol
N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
3-Chloro-6-fluoro-1-methyl-1H-indazole
tert-Butyl-DL-alanine