3,7-Dimethyl-6-octen-1-yl formate

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Names

[ CAS No. ]:
105-85-1

[ Name ]:
3,7-Dimethyl-6-octen-1-yl formate

[Synonym ]:
3,7-Dimethyl-6-octen-1-yl formate
6-Octen-1-ol, 3,7-dimethyl-, formate
MFCD00021050
Citronellolformate
EINECS 203-338-9

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
244.7±19.0 °C at 760 mmHg

[ Melting Point ]:
-58.7°C (estimate)

[ Molecular Formula ]:
C11H20O2

[ Molecular Weight ]:
184.275

[ Flash Point ]:
95.3±12.1 °C

[ Exact Mass ]:
184.146332

[ PSA ]:
26.30000

[ LogP ]:
3.87

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.441

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RH3480000
CHEMICAL NAME :
6-Octen-1-ol, 3,7-dimethyl-, formate
CAS REGISTRY NUMBER :
105-85-1
BEILSTEIN REFERENCE NO. :
1723215
LAST UPDATED :
199709
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C11-H20-O2
MOLECULAR WEIGHT :
184.31
WISWESSER LINE NOTATION :
VHO2Y1&3UY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Human
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 11,1073,1973
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: 11,1073,1973 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8400 mg/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: 11,1073,1973 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5188 No. of Facilities: 733 (estimated) No. of Industries: 4 No. of Occupations: 8 No. of Employees: 9628 (estimated) No. of Female Employees: 7900 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
26-36/37/39

[ WGK Germany ]:
2

[ RTECS ]:
RH3480000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Citronellyl Formate Oxide
  • Formic Acid
  • Citronellol
  • (R)-Citronellol

DownStream

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Related Compounds

  • 3,7-Dimethyl-6-octen-1-yl formate
  • 3,7-Dimethyl-6-octen-1-yl formate
  • Octadecanoic acid, 3,7-dimethyl-6-octen-1-yl ester
  • Benzene,1-[(3,7-dimethyl-6-octen-1-yl)oxy]-4-(1-methylethyl)-
  • Acetic acid, 2-chloro-,3,7-dimethyl-6-octen-1-yl ester
  • Benzene,1-chloro-4-[(3,7-dimethyl-6-octen-1-yl)oxy]-
  • 4-hydroxy-1-(1H-pyrazol-4-yl)cyclohexane-1-carboxylic acid
  • 4-Sulfanyl-1-(trifluoromethyl)cyclohexan-1-ol
  • Tert-butyl 4-(1-amino-4,4-difluorocyclohexyl)-3-methylpiperidine-1-carboxylate
  • 3-[5-Fluoro-2-(trifluoromethyl)phenyl]azetidin-3-ol
  • 2-(4-Bromo-3,5-dimethoxyphenyl)-2-oxoacetic acid
  • 1-[2-(2,2,2-trifluoroethyl)-2H-1,2,3-triazol-4-yl]methanamine
  • O-{[1-(dimethoxymethyl)cyclopropyl]methyl}hydroxylamine
  • ethyl 1-[2-(thian-4-yloxy)ethyl]-1H-1,2,3-triazole-4-carboxylate
  • tert-butyl N-{2-amino-1-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]ethyl}carbamate
  • 6-Methyl-2-[2-(methylsulfanyl)ethyl]pyrimidin-4-ol
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