CAS 5585-39-7|(E)-3,7-Dimethyl-2,6-octadienenitrile

Introduction:Basic information about CAS 5585-39-7|(E)-3,7-Dimethyl-2,6-octadienenitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name(E)-3,7-Dimethyl-2,6-octadienenitrile
CAS Number5585-39-7Molecular Weight149.23300
Density0.858g/cm3Boiling Point247.9ºC at 760mmHg
Molecular FormulaC10H15NMelting Point/
MSDS/Flash Point103.7ºC

Names

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

Chemical & Physical Properties

Density0.858g/cm3
Boiling Point247.9ºC at 760mmHg
Molecular FormulaC10H15N
Molecular Weight149.23300
Flash Point103.7ºC
Exact Mass149.12000
PSA23.79000
LogP3.20268
Index of Refractionn20/D 1.475(lit.)
InChIKeyHLCSDJLATUNSSI-JXMROGBWSA-N
SMILESCC(C)=CCCC(C)=CC#N

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 CodesXn,N
Risk Phrases51/53-68
RIDADRUN 3082 9/PG 3
WGK Germany1

Synonyms

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