(E)-3,7-Dimethyl-2,6-octadienenitrile

Modify Date: 2024-01-22 21:24:41

(E)-3,7-Dimethyl-2,6-octadienenitrile Structure
(E)-3,7-Dimethyl-2,6-octadienenitrile structure
Common Name (E)-3,7-Dimethyl-2,6-octadienenitrile
CAS Number 5585-39-7 Molecular Weight 149.23300
Density 0.858g/cm3 Boiling Point 247.9ºC at 760mmHg
Molecular Formula C10H15N Melting Point N/A
MSDS N/A Flash Point 103.7ºC

 Names

Name (E)-3,7-Dimethyl-2,6-octadienenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.858g/cm3
Boiling Point 247.9ºC at 760mmHg
Molecular Formula C10H15N
Molecular Weight 149.23300
Flash Point 103.7ºC
Exact Mass 149.12000
PSA 23.79000
LogP 3.20268
Index of Refraction n20/D 1.475(lit.)

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RG5370000
CHEMICAL NAME :
2,6-Octadienenitrile, 3,7-dimethyl-, (E)-
CAS REGISTRY NUMBER :
5585-39-7
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C10-H15-N
MOLECULAR WEIGHT :
149.26
WISWESSER LINE NOTATION :
NC1UY1&3UY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3100 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: 14,787,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
4300 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: 14,787,1976 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - E0424 No. of Facilities: 29 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 230 (estimated)

 Safety Information

Hazard Codes Xn,N
Risk Phrases 51/53-68
RIDADR UN 3082 9/PG 3
WGK Germany 1

 Synthetic Route

~%

(E)-3,7-Dimethyl-2,6-octadienenitrile Structure

(E)-3,7-Dimethy...

CAS#:5585-39-7

Literature: ACS Catalysis, , vol. 3, # 7 p. 1652 - 1656

~83%

(E)-3,7-Dimethyl-2,6-octadienenitrile Structure

(E)-3,7-Dimethy...

CAS#:5585-39-7

Literature: Gebhard, R.; Courtin, J. M. L.; Shadid, J. B.; Haveren, J. van; Haeringen, C. J. van; Lugtenburg, J. Recueil des Travaux Chimiques des Pays-Bas, 1989 , vol. 108, # 6 p. 207 - 214

~48%

(E)-3,7-Dimethyl-2,6-octadienenitrile Structure

(E)-3,7-Dimethy...

CAS#:5585-39-7

Literature: Yamazaki, Shigakazu; Yamazaki, Yasuyuki Chemistry Letters, 1990 , # 4 p. 571 - 574

~41%

(E)-3,7-Dimethyl-2,6-octadienenitrile Structure

(E)-3,7-Dimethy...

CAS#:5585-39-7

Literature: Chemistry Letters, , # 4 p. 571 - 574

~%

(E)-3,7-Dimethyl-2,6-octadienenitrile Structure

(E)-3,7-Dimethy...

CAS#:5585-39-7

Literature: Recueil des Travaux Chimiques des Pays-Bas, , vol. 108, # 6 p. 207 - 214

~84%

(E)-3,7-Dimethyl-2,6-octadienenitrile Structure

(E)-3,7-Dimethy...

CAS#:5585-39-7

Literature: Maeda, Yasunari; Nishimura, Takahiro; Uemura, Sakae Bulletin of the Chemical Society of Japan, 2003 , vol. 76, # 12 p. 2399 - 2403

~%

(E)-3,7-Dimethyl-2,6-octadienenitrile Structure

(E)-3,7-Dimethy...

CAS#:5585-39-7

Literature: Organic Letters, , vol. 15, # 8 p. 1850 - 1853

~%

(E)-3,7-Dimethyl-2,6-octadienenitrile Structure

(E)-3,7-Dimethy...

CAS#:5585-39-7

Literature: Chemistry Letters, , # 4 p. 571 - 574

~%

(E)-3,7-Dimethyl-2,6-octadienenitrile Structure

(E)-3,7-Dimethy...

CAS#:5585-39-7

Literature: Recueil des Travaux Chimiques des Pays-Bas, , vol. 108, # 6 p. 207 - 214

 Synonyms

NERAL
cis-Citral
Citral b
3,7-dimethyl-2,6-octadienonitrile
Neroli aldehyde
geranylnitrile
trans-3,7-dimethyl-2,6-octadienenitrile
trans-geranonitrile