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7779-80-8

7779-80-8 structure
7779-80-8 structure
Name 2-methylpropyl heptanoate
Synonyms 2-methylpropyl ester
Isobutyl heptylate
heptanoic acid isobutyl ester
EINECS 231-940-1
Isobutyl heptoate
FEMA No. 2200
2-Methyl-1-propyl heptanoate
Heptansaeure-isobutylester
Isobutyl heptanoate
Heptanoic acid,2-methylpropyl ester
Density 0.87 g/cm3
Boiling Point 208ºC at 760 mmHg
Melting Point -67.5°C (estimate)
Molecular Formula C11H22O2
Molecular Weight 186.29100
Flash Point 82.9ºC
Exact Mass 186.16200
PSA 26.30000
LogP 3.15600
Index of Refraction 1.425

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MJ2295000
CHEMICAL NAME :
Heptanoic acid, isobutyl ester
CAS REGISTRY NUMBER :
7779-80-8
BEILSTEIN REFERENCE NO. :
1760201
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C11-H22-O2
MOLECULAR WEIGHT :
186.33
WISWESSER LINE NOTATION :
6VO1Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,799,1978
RIDADR NONH for all modes of transport
78-83-1 structure

78-83-1

111-14-8 structure

111-14-8

~%

7779-80-8 structure

7779-80-8

Literature: Bournot Biochemische Zeitschrift, 1914 , vol. 65, p. 156
78-83-1 structure

78-83-1

2528-61-2 structure

2528-61-2

~%

7779-80-8 structure

7779-80-8

Literature: Beckwith,A.L.J.; Thomas,C.B. Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1973 , p. 861 - 872
Precursor  3

DownStream  0

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