N,N-diethyl octanamide

fragrance agents

2D:
3D:
CAS Number:	996-97-4
ECHA EC Number:	213-639-7
FDA UNII:	FBO90A88T6
Category:	fragrance agents
IUPAC Name:	N,N-diethyl octanamide
InChI :	InChI=1/C12H25NO/c1-4-7-8-9-10-11-12(14)13(5-2)6-3/h4-11H2,1-3H3
Std.InChI:	InChI=1S/C12H25NO/c1-4-7-8-9-10-11-12(14)13(5-2)6-3/h4-11H2,1-3H3
InChIKey :	FHJRFIYKPIXQNQ-UHFFFAOYAX
Std.InChIKey:	FHJRFIYKPIXQNQ-UHFFFAOYSA-N
SMILES :	CCCCCCCC(=O)N(CC)CC
MDL:	MFCD00214067
Molar Refractivity :	61.39 ± 0.3 cm3 (est)
Parachor :	540.3 ± 4.0 cm3 (est)
Index of Refraction :	1.444 ± 0.02 (est)
Surface Tension :	29.9 ± 3.0 dyne/cm (est)
Density :	0.862 ± 0.06 g/cm3 (est)
Polarizability :	24.33 ± 0.5 10-24cm3 (est)

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

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NCBI:	Search

Physical Properties:

Appearance:	colorless clear liquid (est)
Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.87600 @ 20.00 °C.
Refractive Index:	1.45000 @ 20.00 °C.
Boiling Point:	258.00 to 259.00 °C. @ 760.00 mm Hg
Vapor Pressure:	0.013000 mmHg @ 25.00 °C. (est)
Flash Point:	> 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w):	3.823 (est)
Soluble in:
	alcohol
	water, 50.51 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

spicy sweet minty fresh tobacco woody fruity

Cosmetic Information:

CosIng:	cosmetic data
Cosmetic Uses:	fragrance perfuming agents

Suppliers:

Matrix Scientific

For experimental / research use only.

N,N-Diethyloctanamide, 95+%

sds

Safety Information:


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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for N,N-diethyl octanamide usage levels up to:
	1.0000 % in the fragrance concentrate.

Recommendation for N,N-diethyl octanamide flavor usage levels up to:
	not for flavor use.

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):996-97-4

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :70456

National Institute of Allergy and Infectious Diseases:Data

SCCNFP:opinion

WGK Germany:2

N,N-diethyloctanamide

Chemidplus:0000996974

References:

	N,N-diethyloctanamide
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	996-97-4
Pubchem (cid):	70456
Pubchem (sid):	135028355

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
HMDB (The Human Metabolome Database):	Search
ChemSpider:	View

Potential Blenders and core components :

For Odor

amber

amber carane
FR

ambrette seed absolute
FL/FR

animal

animal specialty
FR

methyl quinoline
FL/FR

balsamic

amyl phenyl acetate
FL/FR

iso

bornyl propionate
FL/FR

fir carboxylate
FR

frankincense absolute
FL/FR

guaiyl acetate
FL/FR

opoponax absolute (balsamodendron kafal)
FL/FR

scotch

pine wood/needles resinoid
FR

berry

raspberry ketone methyl ether
FL/FR

camphoreous

thujyl alcohol
FL/FR

cereal

bran absolute
FR

citrus

ocimene quintoxide
FL/FR

earthy

octanol
FL/FR

fatty

hexyl pivalate
FR

floral

anise indene
FR

benzaldehyde propylene glycol acetal
FL/FR

boronia absolute
FL/FR

boronia butenal
FR

bursera graveolens wood oil
FL/FR

delta-

damascone
FL/FR

dihydrojasmone
FL/FR

2,4-

dimethyl cyclohexyl methyl acetate
FR

hexylidene cyclopentanone
FL/FR

ionone mixed isomers
FL/FR

linalyl propionate
FL/FR

N-

methyl ionone
FR

mimosa absolute france
FL/FR

rhodinyl isobutyrate
FL/FR

rose carboxylate
FR

tobacco flower absolute
FR

tuberose absolute (from concrete)
FL/FR

fruity

alpha-

amyl cinnamyl isovalerate
FL/FR

buchu wood specialty
FL/FR

cyclohexanone diethyl acetal
FL/FR

(Z)-beta-

damascone
FL/FR

beta-

damascone
FL/FR

(E)-beta-

damascone
FL/FR

1-(3,3-

dimethyl bicyclo(2.2.1)hept-2-yl)-2-methyl cyclohex-3-ene carbaldehyde
FR

1,4-

dimethyl bicyclo(3.2.1)oct-3-yl acetate
FR

1,2-

dimethyl butyl 2-butenoate
FR

ethyl 3-hydroxyhexanoate
FL/FR

trans-1-

ethyl-2-methyl propyl 2-butenoate
FL/FR

geranyl acetoacetate
FL/FR

green acetate
FR

heptyl isovalerate
FL/FR

methyl (Z)-5-octenoate
FL/FR

octyl propionate
FL/FR

pentanone
FL/FR

perillyl acetate
FL/FR

pineapple hydroxyhexanoate
FL/FR

fungal

methyl 2-furoate
FL/FR

green

octanal diethyl acetal
FL/FR

hay

beeswax absolute
FL/FR

hay absolute
FR

tobacco leaf absolute
FL/FR

woodruff absolute
FR

herbal

anthemis nobilis flower oil roman
FL/FR

bornyl 2-methyl butyrate
FL/FR

bornyl butyrate
FL/FR

canarium luzonicum oil
FL/FR

dehydroxylinalool oxide
FL/FR

herbal specialty
FR

herbal undecanone
FR

lavender absolute bulgaria
FL/FR

matricaria chamomilla flower oil
FL/FR

methyl cyclogeranate (Firmenich)
FR

methyl nicotinate
FL/FR

curled

parsley seed oil
FL/FR

saffron indenone
FL/FR

safranal
FL/FR

theaspirane
FL/FR

tricyclodecenyl propionate
FR

yerba mate absolute
FL/FR

minty

wintergreen oil
FL/FR

musty

ketoiso

phorone
FL/FR

phenolic

2'-

hydroxyacetophenone
FL/FR

methyl-2,6-dimethoxyphenol
FL/FR

popcorn

acetyl pyridine
FL/FR

spicy

allspice berry absolute
FL/FR

alpha-

amyl cinnamyl alcohol
FL/FR

atractylis root oil
FR

carvacrol
FL/FR

caryophyllene
FL/FR

beta-

caryophyllene
FL/FR

alpha-

caryophyllene alcohol
FL/FR

cinnamon bark oil ceylon
FL/FR

cinnamon leaf oil ceylon
FL/FR

cinnamyl propionate
FL/FR

clove bud absolute
FL/FR

croton eluteria bark oil
FL/FR

galangal root oil
FL/FR

ginger oleoresin africa
FL/FR

ginger root oil brazil
FL/FR

ginger root oil china
FL/FR

grains of paradise oil
FL/FR

green oxane
FR

mace oil
FL/FR

machilus kusanoi wood oil
FR

methyl heptadienone
FL/FR

(E)-

propyl 2-furan acrylate
FL/FR

spicy carbonate
FR

(E)-

tiglic acid
FL/FR

turmeric root absolute
FL/FR

laevo-

verbenone
FL/FR

terpenic

para-

cymene
FL/FR

pine needle oil dwarf
FL/FR

thujonic

common

tansy oil canada
FR

tobacco

para-

cresyl isovalerate
FL/FR

ethyl pyridine
FL/FR

methyl benzoxole
FL/FR

(E,E/E,Z)-

tobacco cyclohexenone
FL/FR

veltonal (Bedoukian)
FR

tonka

deertongue absolute
FR

gamma-

hexalactone
FL/FR

mint lactone
FL/FR

saffron resinoid
FL/FR

tonka undecanone
FR

tropical

genet absolute
FL/FR

vanilla

propenyl guaethol
FL/FR

vanillin propylene glycol acetal
FL/FR

waxy

orris rhizome oil CO2 extract
FL/FR

woody

amber decatriene
FR

iso

caryophyllene
CS

caryophyllene alcohol acetate
FR

beta-

caryophyllene oxide
FL/FR

atlas

cedarwood oil
FR

alpha-

cedrene epoxide
FR

dacrydium franklinii wood oil
FR

frankincense resinoid
FL/FR

(E)-

germacrene D
FL/FR

guaiacwood oil
FL/FR

juniper berry oleoresin
FL/FR

iso

longifolene ketone
FR

melozol acetate
FR

patchouli absolute
FR

rhubarb oxirane
FR

spicy pentanone
FL/FR

spikenard oil
FL/FR

tobacarol (IFF)
FR

tobacco nonene
FR

1-(5',5',6'-

trimethyl bicyclo(2.2.1)hept-2'-ylidene) propan-2-one
FR

woody dioxolane
FR

woody ether
FR

zedoary bark oil
FL/FR

For Flavor

No flavor group found for these

amyl phenyl acetate
FL/FR

bornyl 2-methyl butyrate
FL/FR

bornyl butyrate
FL/FR

buchu wood specialty
FL/FR

bursera graveolens wood oil
FL/FR

alpha-

caryophyllene alcohol
FL/FR

cyclohexanone diethyl acetal
FL/FR

trans-1-

ethyl-2-methyl propyl 2-butenoate
FL/FR

(E)-

germacrene D
FL/FR

grains of paradise oil
FL/FR

guaiyl acetate
FL/FR

heptyl isovalerate
FL/FR

hexylidene cyclopentanone
FL/FR

ionone mixed isomers
FL/FR

methyl nicotinate
FL/FR

propyl pyridine
FL

spikenard oil
FL/FR

laevo-

verbenone
FL/FR

beta-

damascone
FL/FR

thujyl alcohol
FL/FR

animal

methyl quinoline
FL/FR

balsamic

iso

bornyl propionate
FL/FR

opoponax absolute (balsamodendron kafal)
FL/FR

berry

raspberry ketone methyl ether
FL/FR

brown

beeswax absolute
FL/FR

(E)-

tiglic acid
FL/FR

caramellic

ethyl pyridine
FL/FR

methyl 2-furoate
FL/FR

citrus

ketoiso

phorone
FL/FR

cooling

theaspirane
FL/FR

corn

acetyl pyridine
FL/FR

creamy

gamma-

hexalactone
FL/FR

mint lactone
FL/FR

dairy

methyl (Z)-5-octenoate
FL/FR

estery

octyl propionate
FL/FR

floral

cinnamyl propionate
FL/FR

dihydrojasmone
FL/FR

rhodinyl isobutyrate
FL/FR

tuberose absolute (from concrete)
FL/FR

fruity

alpha-

amyl cinnamyl isovalerate
FL/FR

benzaldehyde propylene glycol acetal
FL/FR

boronia absolute
FL/FR

(Z)-beta-

damascone
FL/FR

(E)-beta-

damascone
FL/FR

ethyl 3-hydroxyhexanoate
FL/FR

pentanone
FL/FR

pineapple hydroxyhexanoate
FL/FR

(E)-

propyl 2-furan acrylate
FL/FR

spicy pentanone
FL/FR

grassy

tobacco leaf absolute
FL/FR

green

canarium luzonicum oil
FL/FR

methyl heptadienone
FL/FR

ocimene quintoxide
FL/FR

octanal diethyl acetal
FL/FR

perillyl acetate
FL/FR

hay

genet absolute
FL/FR

herbal

anthemis nobilis flower oil roman
FL/FR

lavender absolute bulgaria
FL/FR

linalyl propionate
FL/FR

matricaria chamomilla flower oil
FL/FR

curled

parsley seed oil
FL/FR

saffron indenone
FL/FR

yerba mate absolute
FL/FR

meaty

methyl 3-(methyl thio) furan
FL

medicinal

frankincense absolute
FL/FR

minty

wintergreen oil
FL/FR

musty

geranyl acetoacetate
FL/FR

octanol
FL/FR

naphthyl

2'-

hydroxyacetophenone
FL/FR

nutty

methyl benzoxole
FL/FR

(E,E/E,Z)-

tobac

Potential Uses:

FR	cigar
FR	cumin oil replacer
FR	herbal
FR	spice
FR	tobacco
FR	woody

Occurrence (nature, food, other):

not found in nature

Synonyms:

	caprylic acid diethyl amide
	caprylic acid diethylamide
N,N-	diethyl capryl amide
N,N-	diethyl octanamide
N,N-	diethyloctamide
N,N-	diethyloctanamide
	insect-repellent 790
	octanamide, N,N-diethyl-
	octanoic acid diethyl amide
	sigaride

Articles:

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CONTENTS

EU/US Properties Organoleptic EU/US Suppliers Safety Safety in use Safety reference References Other Blenders Uses Occurrence Synonyms Articles