hexanal dimethyl acetal
aldehyde C-6 dimethyl acetal
 
Notes:
None found
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      1599-47-9 1,1-Dimethoxyhexane
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      08-22600 HEXALDEHYDE DIMETHYL ACETAL
       
  • SRS Aromatics
    • SRS Aromatics Ltd
      For over 25 years
      Bringing flavour and fragrance into your world.
      As suppliers / distributors of ingredients to the fragrance and flavour industries, our goal is to provide high quality materials at competitive prices with an exceptional level of service. Established in 1984, SRS Aromatics Ltd is an independent family owned business which has become very well-respected within the fragrance and flavour industry as a reliable and trustworthy partner. Over the years this has allowed the company to develop strong relationships with many global manufacturers; several of whom we represent in the UK. A core aim of our business is to work extremely closely with both our suppliers and customers to maximise service levels with minimum disruption to supply.
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      Product(s):
      HEXANAL DIMETHYL ACETAL
       
Synonyms   Articles   Notes   Search
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
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Perfumer and Flavorist: Search
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PubMed: Search
NCBI: Search
DG SANTE Food Flavourings: 06.073  1,1-dimethoxyhexane
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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 mmHg @ 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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decanal dimethyl acetal
dodecanal dimethyl acetal
2-ethyl hexanal dimethyl acetal
heliotropyl dimethyl acetal
heptanal dimethyl acetal
(Z)-3-hexen-1-al dimethyl acetal
(E)-2-hexen-1-al dimethyl acetal
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hydroxycitronellal dimethyl acetal
2-methyl undecanal dimethyl acetal
nonanal dimethyl acetal
isononanal dimethyl acetal
(Z)-6-nonen-1-al dimethyl acetal
2-nonyn-1-al dimethyl acetal
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3-phenyl propionaldehyde dimethyl acetal
propionaldehyde dimethyl acetal
undecanal dimethyl acetal
valeraldehyde dimethyl acetal
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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.
 
 
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Cosmetic Information:
None found
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Suppliers:
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
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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
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Safety in Use Information:
Category: flavor and 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 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
Chewing gum (05.0): --
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
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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
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
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
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References:
 1,1-dimethoxyhexane
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 1599-47-9
Pubchem (cid): 74137
Pubchem (sid): 135032014
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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
Export Tariff Code: 2911.00.5000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
amber
 cistus ladaniferus absolute resinFL/FR
 cistus ladaniferus resinFR
citrus
 methyl heptenoneFL/FR
 valenceneFL/FR
dry
 ostholCS
fatty
 hexyl pivalateFR
floral
 citronellyl valerateFL/FR
 cyclamen aldehydeFL/FR
 eau de brouts absoluteFR
 muguet carbaldehydeFR
fruity
isoamyl valerateFL/FR
 apple ketalFL/FR
 diethyl malonateFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 geranyl isovalerateFL/FR
 green acetateFR
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
 methyl 2-methyl butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
green
2-sec-butyl-3-methoxypyrazineFL/FR
 ethyl (E)-2-decenoateFL/FR
 galbanum resinoidFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
 marigold pot absoluteFL/FR
 marigold pot flowerCS
2-pentenalFL/FR
 phenoxyethyl isobutyrateFL/FR
herbal
 tagete oil indiaFL/FR
minty
 ethyl benzoateFL/FR
 tetrahydrogeranyl acetoneFL/FR
spicy
 cinnamyl isovalerateFL/FR
 cuminyl nitrileFR
waxy
 octyl 2-methyl butyrateFL/FR
woody
lariciu pine needle oilFR
 
For Flavor
 
No flavor group found for these
 citronellyl valerateFL/FR
 cyclohexyl methyl pyrazineFL
9-decen-2-oneFL
2-hexenalFL
2-hexenal diethyl acetalFL
 methyl 3-hydroxybutyrateFL
2-pentenalFL/FR
amber
 cistus ladaniferus absolute resinFL/FR
citrus
 tetrahydrogeranyl acetoneFL/FR
 valenceneFL/FR
estery
 ethyl acetoacetateFL/FR
fruity
isoamyl valerateFL/FR
 apple ketalFL/FR
 cinnamyl isovalerateFL/FR
 diethyl malonateFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl 2-methyl butyrateFL/FR
2,4-hexadien-1-olFL
 hexyl acetateFL/FR
 methyl 2-methyl butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
green
 cyclamen aldehydeFL/FR
 galbanum resinoidFL/FR
 geranyl isovalerateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexenal diethyl acetalFL
 hexyl (E)-tiglateFL/FR
 marigold pot absoluteFL/FR
 methyl heptenoneFL/FR
4-methyl-2-pentenalFL
 phenoxyethyl isobutyrateFL/FR
herbal
 tagete oil indiaFL/FR
medicinal
 ethyl benzoateFL/FR
nutty
 peanut oxazoleFL
vegetable
2-sec-butyl-3-methoxypyrazineFL/FR
waxy
 octyl 2-methyl butyrateFL/FR
 
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Potential Uses:
 appleFL
 fruitFR
 greenFL
 herbalFL
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Occurrence (nature, food, other): note
 found in nature
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Synonyms:
 aldehyde C-6 dimethyl acetal
1,1-dimethoxyhexane
 hexaldehyde dimethyl acetal
 hexanal-dimethylacetal
 hexanal, dimethyl acetal
 hexane, 1,1-dimethoxy-
Synonyms   Articles   Notes   Search   Top
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.
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