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

hexanal dimethyl acetal
aldehyde C-6 dimethyl acetal

Supplier Sponsors

Name:1,1-dimethoxyhexane
CAS Number: 1599-47-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:216-488-5
Nikkaji Web:J195.213G
MDL:MFCD00036508
XlogP3-AA:2.40 (est)
Molecular Weight:146.22986000
Formula:C8 H18 O2
NMR Predictor:Predict (works with chrome or firefox)
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:06.073 (Old)
DG SANTE Food Flavourings:06.073 1,1-dimethoxyhexane
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.84300 to 0.84900 @ 25.00 °C.
Pounds per Gallon - (est).: 7.015 to 7.065
Refractive Index:1.40300 to 1.40900 @ 20.00 °C.
Boiling Point: 158.00 °C. @ 760.00 mm Hg
Vapor Pressure:3.882000 mm/Hg @ 25.00 °C. (est)
Flash Point: 105.00 °F. TCC ( 40.56 °C. )
logP (o/w): 2.041 (est)
Soluble in:
 alcohol
 water, slightly
 water, 1068 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 alkalis
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dodecanal dimethyl acetal
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(E)-2-hexen-1-al dimethyl acetal
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isononanal dimethyl acetal
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3-phenyl propionaldehyde dimethyl acetal
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valeraldehyde dimethyl acetal
 
Organoleptic Properties:
Odor Type: green
Odor Strength:medium
Substantivity:8 hour(s) at 100.00 %
green sweet dry musty
Odor Description:at 100.00 %. green sweet dry musty
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
HEXANAL DIMETHYL ACETAL
Odor Description:Green, cooked apple note
Used to add green note to fruity compositions.
 
Cosmetic Information:
None found
 
Suppliers:
Bedoukian Research
HEXANAL DIMETHYL ACETAL
Odor: Green, cooked apple note
Use: Used to add green note to fruity compositions.
BOC Sciences
For experimental / research use only.
1,1-Dimethoxyhexane
Grau Aromatics
HEXANAL-DIMETHYLACETAL
NI, Kosher
Inoue Perfumery
HEXANAL DIMETHYL ACETAL
Nagar Haveli Perfumes & Aromatics
Hexanal Dimethyl Acetal
Odor: Green sweet dry musty
Penta International
HEXALDEHYDE DIMETHYL ACETAL
Santa Cruz Biotechnology
For experimental / research use only.
1,1-Dimethoxyhexane
Sigma-Aldrich: Aldrich
For experimental / research use only.
1,1-Dimethoxyhexane 98%
SRS Aromatics
HEXANAL DIMETHYL ACETAL
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable 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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for hexanal dimethyl acetal usage levels up to:
  3.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.56 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1600 (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): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 4.0000020.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000020.00000
Ready-to-eat savouries (15.0): 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.0000010.00000
 
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 3 (FGE.03); Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated aldehydes, and a orthoester of formic acid, from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 3, Revision 1 (FGE.03Rev1): Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated or unsaturated aldehydes, an ester of a hemiacetal and an orthoester of formic acid, from chemical groups 1, 2 & 4 Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Scientific Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 61 (FGE.61): Consideration of aliphatic acyclic acetals evaluated by JECFA (57th meeting) structurally related to acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated aldehydes, and an orthoester of formic acid evaluated by EFSA in FGE.03 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 61, Revision 1 (FGE.61Rev1): Consideration of aliphatic acetals evaluated by JECFA (57th meeting) structurally related to acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated aldehydes and one orthoester of formic acid evaluated
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 3, Revision 2 (FGE.03Rev2): Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated or unsaturated aldehydes, an ester of a hemiacetal and an orthoester of formic acid, from chemical groups 1, 2 and 4
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):1599-47-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :74137
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
1,1-dimethoxyhexane
Chemidplus:0001599479
 
References:
 1,1-dimethoxyhexane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1599-47-9
Pubchem (cid):74137
Pubchem (sid):135032014
 
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2911.00.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
amber
cistus ladaniferus absolute resin
FL/FR
cistus ladaniferus resin
FR
citrus
methyl heptenone
FL/FR
valencene
FL/FR
dry
osthol
CS
fatty
hexyl pivalate
FR
floral
citronellyl valerate
FL/FR
cyclamen aldehyde
FL/FR
eau de brouts absolute
FR
muguet carbaldehyde
FR
fruity
iso
amyl valerate
FL/FR
apple ketal
FL/FR
diethyl malonate
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl 2-methyl butyrate
FL/FR
ethyl 3,5,5-trimethyl hexanoate
FR
ethyl acetoacetate
FL/FR
geranyl isovalerate
FL/FR
green acetate
FR
hexyl (E)-tiglate
FL/FR
hexyl acetate
FL/FR
methyl 2-methyl butyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
green
2-sec-
butyl-3-methoxypyrazine
FL/FR
galbanum resinoid
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
marigold pot absolute
FL/FR
marigold pot flower
CS
2-
pentenal
FL/FR
phenoxyethyl isobutyrate
FL/FR
herbal
tagete oil india
FL/FR
minty
ethyl benzoate
FL/FR
musty
tetrahydrogeranyl acetone
FL/FR
spicy
cinnamyl isovalerate
FL/FR
cuminyl nitrile
FR
waxy
octyl 2-methyl butyrate
FL/FR
woody
lariciu
pine needle oil
FR
For Flavor
No flavor group found for these
citronellyl valerate
FL/FR
cyclohexyl methyl pyrazine
FL
9-
decen-2-one
FL
2-
hexenal
FL
2-
hexenal diethyl acetal
FL
methyl 3-hydroxybutyrate
FL
2-
pentenal
FL/FR
amber
amber
cistus ladaniferus absolute resin
FL/FR
citrus
tetrahydrogeranyl acetone
FL/FR
valencene
FL/FR
estery
ethyl acetoacetate
FL/FR
fruity
iso
amyl valerate
FL/FR
apple ketal
FL/FR
cinnamyl isovalerate
FL/FR
diethyl malonate
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl 2-methyl butyrate
FL/FR
2,4-
hexadien-1-ol
FL
hexyl acetate
FL/FR
methyl 2-methyl butyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
green
cyclamen aldehyde
FL/FR
galbanum resinoid
FL/FR
geranyl isovalerate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexenal diethyl acetal
FL
hexyl (E)-tiglate
FL/FR
marigold pot absolute
FL/FR
methyl heptenone
FL/FR
4-
methyl-2-pentenal
FL
phenoxyethyl isobutyrate
FL/FR
herbal
tagete oil india
FL/FR
medicinal
ethyl benzoate
FL/FR
nutty
peanut oxazole
FL
vegetable
2-sec-
butyl-3-methoxypyrazine
FL/FR
waxy
octyl 2-methyl butyrate
FL/FR
 
Potential Uses:
FLapple
 fruit
FLgreen
FLherbal
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
 aldehyde C-6 dimethyl acetal
1,1-dimethoxyhexane
 hexaldehyde dimethyl acetal
 hexanal-dimethylacetal
 hexanal, dimethyl acetal
 hexane, 1,1-dimethoxy-
 

Articles:

PubMed:Proteomic investigation of 1,6-dimethoxyhexane testicular toxicity.
PubMed:Dendritic saccharide surfactant polymers as antifouling interface materials to reduce platelet adhesion.
PubMed:Testicular toxicity of candidate fuel additive 1,6-dimethoxyhexane: comparison with several similar aliphatic ethers.
PubMed:Short-term oral toxicity of butyl ether, ethyl hexyl ether, methyl heptyl ether and 1,6-dimethoxyhexane in male rats and the role of 2-methoxyacetic acid.
PubMed:Short-term oral toxicity of pentyl ether, 1,4-diethoxybutane, and 1,6-dimethoxyhexane in male rats.
 
Notes:
None found
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