EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

octane nitrile
octanonitrile

Sponsors

Name:octanenitrile
CAS Number: 124-12-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:204-682-2
FDA UNII:D6646V87PY
Nikkaji Web:J43.449C
Beilstein Number:1744063
MDL:MFCD00001983
XlogP3:2.80 (est)
Molecular Weight:125.21455000
Formula:C8 H15 N
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.81200 to 0.81600 @ 25.00 °C.
Pounds per Gallon - (est).: 6.757 to 6.790
Refractive Index:1.41800 to 1.42200 @ 20.00 °C.
Melting Point: -45.00 °C. @ 760.00 mm Hg
Boiling Point: 198.00 to 200.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.241000 mm/Hg @ 25.00 °C. (est)
Vapor Density:4.3 ( Air = 1 )
Flash Point: 165.00 °F. TCC ( 73.89 °C. )
logP (o/w): 2.750
Soluble in:
 alcohol
 water, 233.7 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: aldehydic
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
fatty aldehydic green
Odor Description:at 10.00 % in dipropylene glycol. fatty aldehydic green
Odor and/or flavor descriptions from others (if found).
Vigon International
Octanenitrile (Octanile)
Odor Description:SWEET, FATTY, GREEN
Nactis Flavours
OCTANENITRILE
Odor Description:powerful floral note, with aldehydic, citrus and orris aspect
 
Cosmetic Information:
None found
 
Suppliers:
Associate Allied Chemicals
Octane Nitrile
About
Nactis Flavours
OCTANENITRILE
Odor: powerful floral note, with aldehydic, citrus and orris aspect
Santa Cruz Biotechnology
For experimental / research use only.
Heptyl Cyanide
Sigma-Aldrich: Aldrich
For experimental / research use only.
Heptyl cyanide 97%
TCI AMERICA
For experimental / research use only.
Octanenitrile >97.0%(GC)
Vigon International
Octanenitrile (Octanile)
Odor: SWEET, FATTY, GREEN
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-mouse LD50 1764 mg/kg
Archives of Toxicology. Vol. 55, Pg. 47, 1984.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for octane nitrile usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Recommendation for octane nitrile flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):124-12-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :31286
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
octanenitrile
Chemidplus:0000124129
RTECS:RG9700300 for cas# 124-12-9
 
References:
 octanenitrile
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:124-12-9
Pubchem (cid):31286
Pubchem (sid):134974905
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2926.90.5050
Haz-Map:View
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
dodecanal (aldehyde C-12 lauric)
FL/FR
fresh carbaldehyde
FR
iso
freshal
FR
3-
methyl-4-(3-methly-3-methoxybutyl oxy) butyraldehyde
FR
3-
methyl-4-octyl oxybutyraldehyde
FR
octanal (aldehyde C-8)
FL/FR
undecanal
FL/FR
balsamic
guaiyl acetate
FL/FR
citrus
4-
decenal
FL/FR
octanal glycol acetal
FR
2-
tetradecenal
FL/FR
tetrahydrocitral
FL/FR
fatty
3-
decen-2-one
FL/FR
(E,Z)-2,6-
dodecadienal
FL/FR
methyl 2-hexenoate
FL/FR
6-
methyl-5-hepten-2-one propylene glycol acetal
FL/FR
2-
nonenal
FL/FR
(E)-2-
nonenal
FL/FR
(E)-2-
octenal
FL/FR
2-
octenal
FL/FR
(S)-gamma-
undecalactone
FL/FR
fruity
iso
amyl octanoate
FL/FR
ethyl hexanoate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 3-nonenoate
FL/FR
octen-1-yl cyclopentanone
FL/FR
(E)-2-
undecenal
FL/FR
green
cilantro leaf oil
FL/FR
cumin acetaldehyde
FL/FR
iso
cyclocitral (IFF)
FL/FR
dodecanal dimethyl acetal
FL/FR
green carbaldehyde
FR
heptanal (aldehyde C-7)
FL/FR
heptanal cyclic propylene acetal
FL/FR
3-
heptanone
FL/FR
2-
heptenal
FL/FR
(Z)-4-
heptenal
FL/FR
2-
heptyl furan
FL/FR
hexanal (aldehyde C-6)
FL/FR
(E)-2-
hexenal
FL/FR
(Z)-3-
hexenal
FL/FR
alpha-
hexyl cinnamaldehyde dimethyl acetal
FR
2,4-
ivy carbaldehyde / methyl anthranilate schiff's base
FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
(Z)-2-
nonen-1-ol
FL/FR
(E)-2-
nonen-1-ol
FL/FR
2-
nonene nitrile
FR
(E)-2-
octen-1-yl acetate
FL/FR
olive oil absolute
FL/FR
herbal
7-
allyl benzo[b][1,4]dioxepin-3-one
FR
3-
octyl acetate
FL/FR
muguet
4-iso
butyl 1-(3-methoxy-2-propen-1-yl) benzene
FR
4-
ethyl 1-(3-methoxy-2-propen-1-yl) benzene
FR
4-
methyl 1-(3-methoxy-2-propen-1-yl) benzene
FR
4-
propyl 1-(3-methoxy-2-propen-1-yl) benzene
FR
soapy
methyl anthranilate / hexyl cinnamaldehyde schiff's base
FR
spicy
cumin seed absolute
FL/FR
waxy
9-
decenoic acid
FL/FR
heptyl octanoate
FL/FR
2,4-
nonadien-1-ol
FL/FR
octanol
FL/FR
octyl isobutyrate
FL/FR
propyl decanoate
FL/FR
For Flavor
No flavor group found for these
4-
decenal
FL/FR
guaiyl acetate
FL/FR
heptanal cyclic propylene acetal
FL/FR
2-
heptenal
FL/FR
methyl 2-hexenoate
FL/FR
6-
methyl-5-hepten-2-one propylene glycol acetal
FL/FR
2-
octenal
FL/FR
propyl decanoate
FL/FR
2-
tetradecenal
FL/FR
tetrahydrocitral
FL/FR
(S)-gamma-
undecalactone
FL/FR
aldehydic
aldehydic
octanal (aldehyde C-8)
FL/FR
citrus
cilantro leaf oil
FL/FR
creamy
octyl isobutyrate
FL/FR
fatty
2-
heptyl furan
FL/FR
2,4-
nonadien-1-ol
FL/FR
(Z)-2-
nonen-1-ol
FL/FR
2-
nonenal
FL/FR
(E)-2-
octenal
FL/FR
fruity
iso
amyl octanoate
FL/FR
ethyl hexanoate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 3-nonenoate
FL/FR
octen-1-yl cyclopentanone
FL/FR
green
cumin acetaldehyde
FL/FR
iso
cyclocitral (IFF)
FL/FR
3-
decen-2-one
FL/FR
(E,Z)-2,6-
dodecadienal
FL/FR
dodecanal dimethyl acetal
FL/FR
heptanal (aldehyde C-7)
FL/FR
(Z)-4-
heptenal
FL/FR
hexanal (aldehyde C-6)
FL/FR
(E)-2-
hexenal
FL/FR
(Z)-3-
hexenal
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
(E)-2-
nonen-1-ol
FL/FR
(E)-2-
nonenal
FL/FR
(E)-2-
octen-1-yl acetate
FL/FR
3-
octyl acetate
FL/FR
ketonic
3-
heptanone
FL/FR
oily
olive oil absolute
FL/FR
soapy
dodecanal (aldehyde C-12 lauric)
FL/FR
spicy
cumin seed absolute
FL/FR
waxy
9-
decenoic acid
FL/FR
heptyl octanoate
FL/FR
octanol
FL/FR
undecanal
FL/FR
(E)-2-
undecenal
FL/FR
 
Potential Uses:
FRagrumen aldehyde
FRaldehydic
FL/FRcilantro
FRsaffron
 
Occurrence (nature, food, other):note
 champaca concrete @ trace%
Data GC Search Trop Picture
 
Synonyms:
 arneel 8
 caprylnitrile
 caprylonitrile
1-cyanoheptane
 heptyl cyanide
N-heptyl cyanide
 octanenitrile
N-octanenitrile
 octanile
 octanonitrile
 
 
Notes:
None found
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