isoamyl geranate

Modify Date: 2025-09-18 03:10:51

isoamyl geranate Structure
isoamyl geranate structure
Common Name isoamyl geranate
CAS Number 68133-73-3 Molecular Weight 238.36600
Density 0.893g/cm3 Boiling Point 313.7ºC at 760 mmHg
Molecular Formula C15H26O2 Melting Point N/A
MSDS N/A Flash Point 143.4ºC

 Names

Name 3-methylbutyl (2E)-3,7-dimethylocta-2,6-dienoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.893g/cm3
Boiling Point 313.7ºC at 760 mmHg
Molecular Formula C15H26O2
Molecular Weight 238.36600
Flash Point 143.4ºC
Exact Mass 238.19300
PSA 26.30000
LogP 4.26840
Index of Refraction 1.459
InChIKey UYYJNVGFCCTXSK-SDNWHVSQSA-N
SMILES CC(C)=CCCC(C)=CC(=O)OCCC(C)C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RG5385000
CHEMICAL NAME :
2,6-Octadienoic acid, 3,7-dimethyl-, isopentyl ester, (E)-
CAS REGISTRY NUMBER :
68133-73-3
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C15-H26-O2
MOLECULAR WEIGHT :
238.41
WISWESSER LINE NOTATION :
1Y1&U3Y1&U1VO2Y1&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: 17,831,1979 ** 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: 17,831,1979
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: 17,831,1979

 Synonyms

Isoamyl geranate
EINECS 268-700-0
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