(E)-3,7-Dimethyl-2,6-octadienenitrile
Names
[ CAS No. ]:
5585-39-7
[ Name ]:
(E)-3,7-Dimethyl-2,6-octadienenitrile
[Synonym ]:
NERAL
cis-Citral
Citral b
3,7-dimethyl-2,6-octadienonitrile
Neroli aldehyde
geranylnitrile
trans-3,7-dimethyl-2,6-octadienenitrile
trans-geranonitrile
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