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105-87-3

105-87-3 structure
105-87-3 structure
Name geranyl acetate
Synonyms Geranylacetat
Geranyl acetate
(E)-3,7-Dimethyl-2,6-octadien-1-yl acetate
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-
geranylacetate
Geranyl ethanonte
trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate
Acetic acid, geranyl ester
MFCD00015037
trans-3,7-Dimethyl-2,6-octadien-1-ol acetate
FEMA 2509
EINECS 203-341-5
(2E)-3,7-Dimethyl-2,6-octadien-1-yl acetate
(2E)-3,7-Dimethylocta-2,6-dienyl acetate
trans-3,7-Dimethyl-2,6-octadienyl acetate
GERANIOL ACETATE
acetic acid geranyl ester
Beta-Geranyl Acetate
(2E)-3,7-Dimethylocta-2,6-dien-1-yl acetate
(E)-3,7-Dimethyl-2,6-octadien-1-ol acetate
2,6-dimethyl-2,6-octadien-8-yl acetate
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-
3,7-dimethyl-2,6-octadienyl acetate
geranil acetate
femanumber2509.
geraniol acetate, trans-
Geranyl ethanoate
Acetic acid, geraniol ester
trans-3,7-dimethyl-2,6-octadien-1-yl acetate
1Y1&U3Y1&U2OV1 &&E Form
Meraneine
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-
Description Geranyl acetate, an acyclic monoterpene ester derived from geraniol, is widely used in the cosmetics industry due to its pleasant scent[1]. Geranyl acetate can induces cell apoptosis[2].
Related Catalog
In Vitro Geranyl acetate exhibits significant anti-cancer activity against colo-205 cancer cell line with IC50 value of 30 μM[2]. Geranyl acetate induces apoptosis in colo-205 cells, this apoptosis is associated with upregulation of Bax and downregulation of Bcl-2 expressions[2].
References

[1]. Wu T, et al. Engineering Saccharomyces cerevisiae for the production of the valuable monoterpene ester geranyl acetate. Microb Cell Fact. 2018 Jun 5;17(1):85.

[2]. Qi F, et al. Geraniol and geranyl acetate induce potent anticancer effects in colon cancer Colo-205 cells by inducing apoptosis, DNA damage and cell cycle arrest. J BUON. 2018 Mar-Apr;23(2):346-352.
Density 0.9±0.1 g/cm3
Boiling Point 247.5±0.0 °C at 760 mmHg
Melting Point < 25ºC
Molecular Formula C12H20O2
Molecular Weight 196.286
Flash Point 98.9±0.0 °C
Exact Mass 196.146332
PSA 26.30000
LogP 4.10
Vapour density 6.8 (vs air)
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.458
Storage condition 2-8°C
Water Solubility <0.1 g/100 mL at 20 ºC

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RG5920000
CHEMICAL NAME :
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-
CAS REGISTRY NUMBER :
105-87-3
BEILSTEIN REFERENCE NO. :
1722815
LAST UPDATED :
199701
DATA ITEMS CITED :
19
MOLECULAR FORMULA :
C12-H20-O2
MOLECULAR WEIGHT :
196.32
WISWESSER LINE NOTATION :
1Y&U3YU2OV1 -T

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Human - man
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6330 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - coma
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
260 gm/kg/13W-I
TOXIC EFFECTS :
Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
28 gm/kg/14D-I
TOXIC EFFECTS :
Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
130 gm/kg/13W-I
TOXIC EFFECTS :
Liver - other changes Related to Chronic Data - death
TYPE OF TEST :
Unscheduled DNA synthesis

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
70 mg/L
REFERENCE :
EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 10(Suppl 10),1,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83198 No. of Facilities: 53 (estimated) No. of Industries: 3 No. of Occupations: 35 No. of Employees: 7388 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83198 No. of Facilities: 3954 (estimated) No. of Industries: 19 No. of Occupations: 25 No. of Employees: 48026 (estimated) No. of Female Employees: 33271 (estimated)
Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S36-S24/25
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS RG5920000

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