Ethyl 2-acetylcaprylate

Modify Date: 2024-01-02 18:43:46

Ethyl 2-acetylcaprylate Structure
Ethyl 2-acetylcaprylate structure
Common Name Ethyl 2-acetylcaprylate
CAS Number 29214-60-6 Molecular Weight 214.30100
Density 0.94 Boiling Point 149 °C / 25mmHg
Molecular Formula C12H22O3 Melting Point N/A
MSDS N/A Flash Point 101.7ºC

 Names

Name ethyl 2-acetyloctanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.94
Boiling Point 149 °C / 25mmHg
Molecular Formula C12H22O3
Molecular Weight 214.30100
Flash Point 101.7ºC
Exact Mass 214.15700
PSA 43.37000
LogP 2.72510
Vapour Pressure 0.0179mmHg at 25°C
Index of Refraction 1.435
InChIKey BRGRZPQESQKATK-UHFFFAOYSA-N
SMILES CCCCCCC(C(C)=O)C(=O)OCC

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RH0352500
CHEMICAL NAME :
Octanoic acid, 2-acetyl-, ethyl ester
CAS REGISTRY NUMBER :
29214-60-6
BEILSTEIN REFERENCE NO. :
1774721
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C12-H22-O3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,454,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,454,1975

 Safety Information

RTECS RH0352500
HS Code 2918300090

 Synthetic Route

~54%

Ethyl 2-acetylcaprylate Structure

Ethyl 2-acetylc...

CAS#:29214-60-6

Literature: Kathuria, Abha; Gupta, Anjali; Priya, Nivedita; Singh, Prabhjot; Raj, Hanumantharao G.; Prasad, Ashok K.; Parmar, Virinder S.; Sharma, Sunil K. Bioorganic and Medicinal Chemistry, 2009 , vol. 17, # 4 p. 1550 - 1556

~%

Ethyl 2-acetylcaprylate Structure

Ethyl 2-acetylc...

CAS#:29214-60-6

Literature: Mallinckrodt Chem. Works Patent: US2358768 , 1941 ; Full Text Show Details Wallingford; Thorpe; Homeyer Journal of the American Chemical Society, 1942 , vol. 64, p. 581

~%

Ethyl 2-acetylcaprylate Structure

Ethyl 2-acetylc...

CAS#:29214-60-6

Literature: Givaudan Roure (International) SA Patent: US6348618 B1, 2002 ; Location in patent: Page column 13 ;

~33%

Ethyl 2-acetylcaprylate Structure

Ethyl 2-acetylc...

CAS#:29214-60-6

Literature: Li, Zhilong; Jung, Heejung; Park, Mira; Lah, Myoung Soo; Koo, Sangho Advanced Synthesis and Catalysis, 2011 , vol. 353, # 11-12 p. 1913 - 1917

~%

Ethyl 2-acetylcaprylate Structure

Ethyl 2-acetylc...

CAS#:29214-60-6

Literature: Katritzky, Alan R.; Thind, Sukhpal S. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1981 , p. 661 - 663

~%

Ethyl 2-acetylcaprylate Structure

Ethyl 2-acetylc...

CAS#:29214-60-6

Literature: Katritzky, Alan R.; Thind, Sukhpal S. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1981 , p. 661 - 663

~%

Ethyl 2-acetylcaprylate Structure

Ethyl 2-acetylc...

CAS#:29214-60-6

Literature: Blaise; Luttringer Bulletin de la Societe Chimique de France, 1905 , vol. <3>33, p. 821 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1905 , vol. 140, p. 792

~%

Ethyl 2-acetylcaprylate Structure

Ethyl 2-acetylc...

CAS#:29214-60-6

Literature: Tsurumi Sci. Rep. Tohoku Univ., Ser. 1: Phys., Chem., Astron., vol. 16, p. 682 Chem. Zentralbl., 1927 , vol. 98, # II p. 2743

 Customs

HS Code 2918300090
Summary 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

 Synonyms

2-Hexyl-acetessigsaeure-aethylester
Ethyl 2-Acetyl-n-octanoate
ethyl hexylacetoacetate
2-hexyl-acetoacetic acid ethyl ester
Octanoic acid,2-acetyl-,ethyl ester
n-Hexylethyl acetaoacetate
EINECS 249-518-0
Ethyl 2-acetylcaprylate
Ethyl 2-Hexylacetoacetate
2-acetyl-octanoic acid ethyl ester
Ethyl-2-hexyl acetaoacetate
ethyl-2-acetyloctanoate
2-Acetyl-n-octanoic Acid Ethyl Ester
MFCD00026889
Hexylacetoacetic Acid Ethyl Ester
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