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

Modify Date: 2024-01-02 21:41:53

3,7-Dimethyl-6-octen-1-yl formate Structure
3,7-Dimethyl-6-octen-1-yl formate structure
Common Name 3,7-Dimethyl-6-octen-1-yl formate
CAS Number 105-85-1 Molecular Weight 184.275
Density 0.9±0.1 g/cm3 Boiling Point 244.7±19.0 °C at 760 mmHg
Molecular Formula C11H20O2 Melting Point -58.7°C (estimate)
MSDS Chinese USA Flash Point 95.3±12.1 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 3,7-Dimethyloct-6-en-1-yl formate
Synonym More Synonyms

 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

 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
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

~10%

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

3,7-Dimethyl-6-...

CAS#:105-85-1

Literature: Sonnet, Philip E. Synthesis, 1980 , # 10 p. 828 - 830

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

3,7-Dimethyl-6-...

CAS#:105-85-1

Literature: Journal of chemical ecology, , vol. 28, # 4 p. 769 - 781

~%

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

3,7-Dimethyl-6-...

CAS#:105-85-1

Literature: Chemische Berichte, , vol. 29, p. 921,924 Chemische Berichte, , vol. 30, p. 38

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 Synonyms

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