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

nonisyl acetate
vanoris (IFF)

Sponsors

Name: 3,5,5-trimethylhexyl acetate
CAS Number: 58430-94-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 261-245-9
FDA UNII: 9HMD71U17Z
Nikkaji Web: J74.802A
Beilstein Number: 1758391
MDL: MFCD00026336
XlogP3-AA: 3.50 (est)
Molecular Weight: 186.29474000
Formula: C11 H22 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments:
CASrn in Register refers to the racemate.
Category: flavor and 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
Flavis Number: 09.819 (Old)
DG SANTE Food Flavourings: 09.819 3,5,5-trimethylhexyl acetate
 
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 93.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 0.86100 to 0.87100 @ 20.00 °C.
Pounds per Gallon - est.: 7.173 to 7.256
Boiling Point: 193.21 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.470000 mm/Hg @ 25.00 °C. (est)
Flash Point: 176.00 °F. TCC ( 80.00 °C. )
logP (o/w): 4.100
Shelf Life: 24.00 month(s) or longer if stored properly.
Storage: store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
 alcohol
 water, 15.62 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 alcoholic lotions
 antiperspirant
 deo stick
 detergent
 fabric softener
 hard surface cleaner
 shampoo
 soap
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength: medium
Substantivity: 4 hour(s) at 100.00 %
 sweet orris cumin woody fruity spicy
Odor Description:
at 100.00 %.
sweet orris cumin woody fruity spicy
Luebke, William tgsc, (1992)
Flavor Type: woody
 woody fruity floral violet orris tropical melon lavender
Taste Description:
woody fruity floral violet orris tropical melon lavender
Odor and/or flavor descriptions from others (if found).
Symrise
Neononyl acetate
Odor Description: floral-sweet (violet, iris), fruity (somewhat like raspberry), slightly herbaceous
IFF
Vanoris
Odor Description: Soft, fruity, woody with a pleasing orris effect
Moellhausen
isoNONYL ACETATE
Odor Description: woody, floral, with lavender connotations
Taste Description: woody, fruity-floral, with lavender connotations
 
Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Augustus Oils
Inonyl Acetate
Services
Azelis UK
VANORIS
Services
BOC Sciences
For experimental / research use only.
Nonisyl Acetate
CG Herbals
isoNonyl Acetate
Odor: Soft, fruity, woody with a pleasing orrise note
Citrus and Allied Essences
Nonisyl Acetate
Market Report
Creatingperfume.com
VANORIS (IFF)
Odor: Soft, fruity, woody with a pleasing orris effect
Diffusions Aromatiques
ACETATE ISONONYLE
Diffusions Aromatiques
ACETATE NONANYLE
ECSA Chemicals
isoNonyl Acetate
Company Profile
Ernesto Ventós
IsoNONYL ACETATE
Odor: SWEET,FLORAL,FRUTAL,WOODY,VIOLET
Global Essence
IsoNonyl Acetate
IFF
Vanoris
Odor: Soft, fruity, woody with a pleasing orris effect
Indukern F&F
ISONONYL ACETATE EXTRA
Odor: FLORAL, SWEET, FRUITY, HERBAL
Indukern F&F
ISONONYL ACETATE
Odor: HERBAL, SWEET, WOODY
Inoue Perfumery
SANTANATE
Keva
ISONONYL ACETATE
Odor: Fruity, woody, green, soft, fresh
Kun Shan P&A
Vanoris
Liaison Carbone
NONISYL ACETATE 611460
Lluch Essence
ISONONYL ACETATE 80%
Lluch Essence
isoNONYL ACETATE 85%
Odor: CUMIN, SWEET, HERBACEOUS
Lluch Essence
isoNONYL ACETATE 96%
PCW France
Inonyl Acetate
Steps to a fragranced product
Penta International
ISONONYL ACETATE
PerfumersWorld
IsoNonyl Acetate
Odor: woody floral lavender
Perfumery Laboratory
VANORIS ™ IFF
Odor: Soft woody aroma with sweet floral notes of iris and raspberry
Santa Cruz Biotechnology
For experimental / research use only.
3,5,5-Trimethylhexyl Acetate
Sensient Flavor and Fragrances
isoNonyl Acetate Pure
Odor: Herbal-aromatic, fruity
Sigma-Aldrich: Aldrich
For experimental / research use only.
3,5,5-Trimethylhexyl Acetate
Symrise
Neononyl acetate
Odor: floral-sweet (violet, iris), fruity (somewhat like raspberry), slightly herbaceous
Tadimety Aromatics
Iso Nonyl Acetate
Odor: Soft, Fruity, Woody with a pleasing orris effect
Taytonn
Vanoris
Odor: Floral, Fruity, Woody
TCI AMERICA
For experimental / research use only.
3,5,5-Trimethylhexyl Acetate >93.0%(GC)
The John D. Walsh Company
Vanoris
Vigon International
Neononyl Acetate (3,5,5-Trimethyl Hexyl Acetate)
Odor: Floral-sweet (violet, iris), fruity (somewhat like raspberry), slightly herbaceous
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
 
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.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 4250 mg/kg
(Moreno, 1973af)

oral-rat LD50 4250 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 1009, 1974.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 1009, 1974.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for nonisyl acetate usage levels up to:
  10.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.011 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 2300 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
Safety References:
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 58430-94-7
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 42745
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 3,5,5-trimethylhexyl acetate
Chemidplus: 0058430947
RTECS: AK0840000 for cas# 58430-94-7
 
References:
 3,5,5-trimethylhexyl acetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 58430-94-7
Pubchem (cid): 42745
Pubchem (sid): 135004152
 
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: 2915.39.9000
ChemSpider: View
 
Potential Blenders and core components note
For Odor
aldehydic
TMH aldehyde
FR
amber
amber carane
FR
formoxymethyl isolongifolene
FR
animal
musk indenofuran
FR
anise
estragon absolute
FR
balsamic
hexyl cinnamate
FR
khella oil
FR
myrrh resinoid
FR
valeriana wallichii root oil
FR
citrus
acetaldehyde citronellyl methyl acetal
FR
iso
decyl acetate
FR
fatty
(Z)-2-
nonenal
CS
floral
4-tert-
butyl cyclohexane carboxaldehyde
FR
butyl tiglate
FR
cassis cyclohexene
FR
cassis specialty
FR
cumin carbinol
FR
4-
cyclohexyl cyclohexanone
FR
cymbopogon validus leaf oil
FR
dihydromyrcene
FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
2,4-
dimethyl-3-cyclohexene-1-methanol
FR
eau de brouts absolute
FR
iso
eugenyl ethyl acetal
FR
heather fragrance
FR
heliotrope absolute
FR
heliotropyl diethyl acetal
FR
herbal pyran
FR
ho leaf oil
FR
karo karounde absolute
FR
lavandin concrete decolorized
FR
lavender absolute replacer
FR
lavender oil replacer
FR
lilyall
FR
N-
methyl ionone
FR
nonisyl propionate
FR
orris butenone
FR
orris pyridine 25% IPM
FR
orris rhizome absolute replacer
FR
pelargonium graveolens flower water
FR
rose concrete (rosa centifolia)
FR
sambucus nigra flower oil CO2 extract
FR
tetrahydrolinalyl acetate
FR
vetiver pentanone
FR
green
(Z)-3-
hexen-1-yl angelate
FR
2-
nonene nitrile
FR
herbal
acorus calamus rhizome oil
FR
calamintha clinopodium oil
FR
calendula officinalis flower oil CO2 extract
FR
cananga fruit oil
FR
carrot seed oil (daucus carota ssp. gummifer hook. fil.) spain
FR
celery undecene
FR
chamomile isobutyrate
FR
chrysanthemum ketone
FR
american
elder flower absolute
FR
inula root oil
FR
lavandin flower water
FR
lavender stem oil lithuania
FR
methyl cyclogeranate (Firmenich)
FR
iso
nonyl acetate
FR
common
tansy flower oil
FR
common
tansy flower oil dutch
FR
musk
musk indanone
FR
peppery
asarum europaeum oil
FR
powdery
dimethyl ionone
FR
saffron
saffron stigmates absolute
FR
spicy
amyl isoeugenol
FR
anona squamosa leaf oil
FR
ayou wood oil
FR
carnation absolute
FR
(E)-
cinnamyl nitrile
FR
cuminyl nitrile
FR
green oxane
FR
machilus kusanoi leaf oil
FR
machilus kusanoi wood oil
FR
maja fragrance
FR
pepper hexanone
FR
spicy carbonate
FR
sugandha kokila berry oil
FR
terpenic
juniper branch oil
FR
thujonic
common
tansy oil canada
FR
vanilla
vanilla cresol
FR
woody
caryophyllene alcohol acetate
FR
dacrydium franklinii wood oil
FR
diethyl dimethyl-2-cyclohexenone
FR
guaiacwood oil 20% in gurjun balsam oil
FR
hedychium spicatum root oil
FR
jatamansi root oil
FR
methyl methylene tricyclodecanol
FR
orris hexanone
FR
patchouli absolute
FR
rhubarb oxirane
FR
sandal octanol
FR
santal penten-2-ol
FR
woody nonane (ethoxy)
FR
zdravetz absolute
FR
For Flavor
spicy
cumin oleoresin
FL
4-
methyl biphenyl
FL
 
Potential Uses:
 amberFR
 balsamFR
 citrusFR
 cuminFL/FR
 floralFR
 fruitFR
 herbalFR
 oakmoss mousse de chene mossFR
 orris irisFR
 spiceFR
 woodyFR
 
Occurrence (nature, food, other): note
 not found in nature
 
Synonyms:
 acetic acid 3,5,5-trimethylhexyl ester
 acetic acid, 3,5,5-trimethylhexyl ester
1-hexanol, 3,5,5-trimethyl-, acetate
 inonyl acetate
 nonisyl acetate
isononyl acetate
neononyl acetate
isononyl acetate pure
 santanate
 trimethyl hexyl acetate
3,5,5-trimethyl hexyl acetate
3,5,5-trimethyl hexyl ethanoate
3,5,5-trimethyl-1-hexanol acetate
3,5,5-trimethylhexan-1-ol acetate
3,5,5-trimethylhexyl acetate
 vanoris (IFF)
 

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