heptanal dimethyl acetal
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Notes :
Very good blender.
 
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IUPAC Name - 1,1-dimethoxyheptane
InChI - InChI=1/C9H20O2/c1-4-5-6-7-8-9(10-2)11-3/h9H,4-8H2,1-3H3
InChIKey - BBMCNYFBAIUERL-UHFFFAOYAS
SMILES - CCCCCCC(OC)OC
CAS Number : 10032-05-0
(EINECS) Number :233-103-6
FEMA Number :2541
COE Number :2015
Molar Refractivity :47.19 ± 0.3 cm3 (est)
Parachor :426.9 ± 4.0 cm3 (est)
Index of Refraction :1.410 ± 0.02 (est)
Surface Tension :25.3 ± 3.0 dyne/cm (est)
Density :0.842 ± 0.06 g/cm3 (est)
Polarizability :18.70 ± 0.5 10-24cm3 (est)
XlogP : 3.10 (est)
Molecular Weight : 160.2539000 (IUPAC) (PT) (112)
Formula :C9 H20 O2
NMR Predictor :Predict
 
 
Category :flavor and fragrance agents

EU / EUROPA / FDA / JECFA Information :
JECFA Food Flavoring :Heptanal dimethyl acetal.
Fl@vouring Number : 06.028
FDA Mainterm : HEPTANAL DIMETHYL ACETAL.
FDA Regulation. :FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.

Suppliers :
Bedoukian Research :HEPTANAL DIMETHYL ACETAL
≥98.0%, Kosher
Odor:  An odor reminiscent of vegetable greens such as bell peppers and salad greens
Used for vegetable topnote in fragrances.
Flavor:  green waxy
May add a natural effect to peach, berry, bell pepper, lime and lemon flavors.
Bell :Aldehyde C 7-dimethylacetal
Inoue :HEPTANAL DIMETHYL ACETAL
Penta :heptanal dimethyl acetal
SAFC Global® :1,1-Dimethoxyheptane

Organoleptics :
Odor Type :green
Odor Strength :medium ,
recommend smelling in a 10.00 % solution or less
Odor Description:
at 100.00 %.  
green privet fruity tropical orange
Luebke, William tgsc, (1991)
Odor sample from :Bedoukian Research, Inc.
Odor Description:
Green, oily, fatty and waxy with a fruity nuance
Mosciano, Gerard P&F 15, No. 6, 35, (1990)
Taste Description:
at 20.00 ppm.  
Dirty green with waxy and fatty nuances
Mosciano, Gerard P&F 15, No. 6, 35, (1990)
Substantivity :1 hour(s) at 100.00 %

Properties :
Appearence :colorless clear liquid
Assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
Specific Gravity :0.84400 to 0.84900 @ 25.00 °C.
Pounds per Gallon - est. : 7.023 to 7.065
Refractive Index :1.40500 to 1.41500 @ 20.00 °C.
Boiling Point : 81.00 °C. @ 30.00 mm Hg
Boiling Point : 164.00 to 165.00 °C. @ 760.00 mm Hg
Acid Value : 1.00  max.  KOH/g
Vapor Pressure :0.60000 mm/Hg @ 20.00 °C.
Flash Point : 155.00  °F.  TCC  ( 68.33 °C. )
logP (o/w) : 2.74

Safety :
Most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Human Experience : 8 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) : 
  Not determined
 

Safety in Use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.037 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.26 (μg/capita/day)
Structure Class :I
 
Recommendation for heptanal dimethyl acetal fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
Recommendation for heptanal dimethyl acetal flavor usage levels up to :
  20.0000 ppm in the flavor.

Safety References :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1993
 
WGK Germany :2
 
 
 
 
1,1-dimethoxyheptane
(EINECS) Number :233-103-6
Chemidplus :010032050
EPA Substance Registry Services :10032-05-0

References :
 
1,1-dimethoxyheptane
NIST Chemistry WebBook :1701785792
Pubchem :197710

Cosmetics :
Cosmetic Uses : perfuming agents

Other :
CosIng :cosmetic data
FDA Everything Added to Food in the United States (EAFUS)View
Export Tariff Code :2911.00.5000
FMA :listed
RIFM :listed
Synonyms :
 aldehyde C-7 dimethyl acetal
1,1-dimethoxyheptane
 enanthal dimethyl acetal
 heptaldehyde dimethyl acetal
 oenanthal dimethyl acetal
 verteral

Similar Products:    note
 acetaldehyde dimethyl acetal
 acetyl acetaldehyde dimethyl acetal
alpha-amyl cinnamaldehyde dimethyl acetal
para-anisaldehyde dimethyl acetal
 butyraldehyde dimethyl acetal
 cinnamaldehyde dimethyl acetal
 citral dimethyl acetal
 citronellal dimethyl acetal
 citronellyl oxyacetaldehyde dimethyl acetal
 cyclamen aldehyde dimethyl acetal
 decanal dimethyl acetal
 dodecanal dimethyl acetal
2-ethyl hexanal dimethyl acetal
 heliotropyl dimethyl acetal
 hexanal dimethyl acetal
(Z)-3-hexen-1-al dimethyl acetal
(E)-2-hexen-1-al dimethyl acetal
 hexoxyacetaldehyde dimethyl acetal
alpha-hexyl cinnamaldehyde dimethyl acetal
 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
 octanal dimethyl acetal
 phenyl acetaldehyde dimethyl acetal
2-phenyl propionaldehyde dimethyl acetal
3-phenyl propionaldehyde dimethyl acetal
 propionaldehyde dimethyl acetal
 undecanal dimethyl acetal
 valeraldehyde dimethyl acetal

Soluble in :
 alcohol

Insoluble in :
 water

Stability :
 alkalis

Potential Blenders :    note
 allyl heptanoateFL/FR
 allyl nonanoateFL/FR
 allyl octanoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl isobutyrateFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 buchu mercaptanFL/FR
2-isobutyl thiazoleFL/FR
 cassis pentanoneFL/FR
 cumin acetaldehydeFL/FR
 decyl butyrateFL/FR
 dimethyl benzyl carbinolFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 galbanum oilFL/FR
(E)-geranyl acetoneFL/FR
 geranyl hexanoateFL/FR
 geranyl methyl tiglate 
3-hexanoneFL/FR
3-hexen-1-alFL/FR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
 ivy carbaldehydeFL/FR
2,4-ivy carbaldehydeFL/FR
3,5-ivy carbaldehydeFL/FR
3,6-ivy carbaldehydeFL/FR
 ivy dioxolaneFR
 leafy oximeFR
 maltyl isobutyrateFL/FR
 mango thiolFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl 2,4-decadienoateFL/FR
 methyl dimethyl anthranilateFL/FR
 methyl octine carbonateFL/FR
 methyl thiomethyl butyrateFL
 narcissus absoluteFR
 nerolin fragarolFL/FR
gamma-nonalactone (aldehyde C-18)FL/FR
(E)-2-nonen-1-yl acetateFL/FR
 nonyl acetateFL/FR
 ocean propanal / methyl anthranilate schiff's baseFR
 orangeflower absolute moroccoFL/FR
 passiflora acetateFL/FR
 phenethyl acetalFR
 phenethyl acetateFL/FR
 phenoxyacetaldehyde 50% in benzyl alcoholFR
 phenyl acetaldehyde diisobutyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
 propyl cinnamateFL/FR
 propyl hexanoateFL/FR
 propyl isobutyrateFL/FR
isopropyl phenyl acetateFL/FR
isopropyl quinolineFR
 rose butanoateFL/FR
laevo-rose oxideFL/FR
 rue flower oil colombia 
 rue oil chinaFL/FR
 rue oil cubaFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
 tropical oxathianeFL/FR
2-undecen-1-alFL/FR
 viridiflorolFL/FR

Potential Uses :
 berryFR
 blossom tropical blossom 
 coconutFR
 cognacFR
 cortex 
 cucumberFR
 dairyFL
 foliage 
 fruit tropical fruit 
 fungus mushroomFR
 galbanumFL/FR
 greenFR
 green grassFR
 lemonFR
 limeFR
 melon watermelon muskmelon cantaloupe 
 natural 
 nut walnutFL
 oily 
 peachFR
 pineappleFR
 softener 
 stem 
 vegetation tropical hothouse vegetation 
 waxy 

Natural Occurrence in :    note
 not found in nature  



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