acetic acid geranyl ester

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Names

[ CAS No. ]:
105-87-3

[ Name ]:
acetic acid geranyl ester

[Synonym ]:
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)-

Chemical & Physical Properties

[ 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

MSDS

Click to get detail MSDS

Toxicological Information

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)

Safety Information

[ Symbol ]:

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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Geraniol
  • Acetyl chloride
  • vinyl acetate
  • cis-3,7-Dimethyl-2,6-octadien-1-ol
  • Ethanoic anhydride
  • ethyl acetate
  • 3,7-dimethyl-1-[(tetrahydro-2H-pyran-2-yl)oxy]-(E)-2,6-octadiene
  • acetic acid,4-chloro-3-methylbut-2-en-1-ol
  • magnesium,2-methylbut-2-ene,chloride
  • Linalool

DownStream

  • acetic acid,3,7-dimethylocta-2,7-dien-1-ol
  • UNII:LK024V9U3C
  • 2,6,6-trimethyl-5-oxocyclohexa-1,3-diene-1-carbaldehyde
  • 3,7-dimethyl-8-phenylocta-2,6-dien-1-ol
  • acetic acid,7-(1,3-dioxolan-2-yl)-3-methylocta-2,6-dien-1-ol
  • Alpha-caryophyllene
  • Vitamin A
  • Dihydromyrcene
  • 2,6-DIMETHYL-2-TRANS-6-OCTADIENE
  • Myrcene

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Related Compounds

  • acetic acid geranyl ester
  • acetic acid geranyl ester
  • Geranyl Phenylacetate
  • geranyl anthranilate
  • (E)-3-methyl-6-(toluene-4-sulfonyloxy)hex-2-enol acetic acid ester
  • Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, diethyl ester, ace tate