undecanal dimethyl acetal
aldehyde C-11 undecylic dimethyl acetal
 
Notes:
None found
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CAS Number: 52517-67-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 257-989-9
Nikkaji Web: J295.687J
XlogP3-AA: 5.10 (est)
Molecular Weight: 216.36456000
Formula: C13 H28 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.84300 to 0.85300 @  25.00 °C.
Pounds per Gallon - (est).: 7.015 to  7.098
Refractive Index: 1.42300 to 1.43300 @  20.00 °C.
Boiling Point: 68.00 °C. @ 15.00 mm Hg
Boiling Point: 248.00 to  249.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.037000 mmHg @ 25.00 °C. (est)
Flash Point: 225.00 °F. TCC ( 107.22 °C. )
logP (o/w): 4.588 (est)
Soluble in:
 alcohol
 water, 3.902 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 alkalis
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Organoleptic Properties:
 
Odor Type: floral
 
Odor Strength: medium
 
 fresh  floral  citrus  
Odor Description:
at 100.00 %. 
fresh floral citrus
 
Odor and/or flavor descriptions from others (if found).
 
Bedoukian Research
UNDECANAL DIMETHYL ACETAL
Odor Description: A fresh floral, citrus odor
Used in fresh, citrus, floral perfumes.
 
 
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
Undecane,1,1-dimethoxy-
Nagar Haveli Perfumes & Aromatics
Undecanal Dimethyl Acetal
Odor: fresh floral citrus
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Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
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: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for undecanal dimethyl acetal usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Recommendation for undecanal dimethyl acetal flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 52517-67-6
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 104224
National Institute of Allergy and Infectious Diseases: Data
 1,1-dimethoxyundecane
Chemidplus: 0052517676
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References:
 1,1-dimethoxyundecane
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 104224
Pubchem (sid): 135062158
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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
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
 decanal (aldehyde C-10)FL/FR
 mandarine undecenalFL/FR
 TMH aldehydeFR
citronella
4,8-dimethyl-7-nonen-2-olFR
citrus
 acetaldehyde citronellyl methyl acetalFR
 bergamot oilFL/FR
 bergamot oil bergaptene reduced italyFL/FR
 bergamot oil turkeyFL/FR
beta-bisabololFL/FR
 citral diethyl acetalFL/FR
 citrus floral green fragranceFR
 citrus ocimenolFR
 citrus specialtyFR
 dihydromyrcenolFL/FR
2,4-dimethyl-3-cyclohexene-1-methanyl acetateFR
2-dodecanoneFL/FR
2-ethyl-1-hexanolFL/FR
citrus floral fragranceFR
 lime octadienalFR
 lime oil distilled mexicoFL/FR
 mandarin oilFL/FR
 mandarin oil italyFL/FR
3-methyl-4-(2-methyl butyl oxy) butyraldehydeFR
 nonanal dimethyl acetalFL/FR
 panax quinquefolius root tinctureFL/FR
beta-sinensalFL/FR
(±)-2,4,8-trimethyl-7-nonen-2-olFL/FR
 verbena fragranceFR
floral
 bois de rose oil brazilFL/FR
 gardenia acetalFR
 linaloolFL/FR
 muguet nitrileFR
 nerolFL/FR
 neroli oil tunisiaFL/FR
 nerolidyl acetateFL/FR
 palmarosa oilFL/FR
 peony acetonitrileFR
 petitgrain concreteFR
 petitgrain lemon oilFL/FR
 petitgrain oil moroccoFL/FR
 tetrahydrolinalyl acetateFR
herbal
(R)-(+)-citronellalFL/FR
alpha-terpinyl acetateFL/FR
terpenic
(E,E)-2,6-alloocimeneFL/FR
waxy
 decanal dimethyl acetalFL/FR
1-undecanolFL/FR
 
For Flavor
 
No flavor group found for these
(R)-(+)-citronellalFL/FR
 decanal dimethyl acetalFL/FR
 mandarine undecenalFL/FR
 nerolidyl acetateFL/FR
(E,E)-2,6-alloocimeneFL/FR
beta-sinensalFL/FR
 panax quinquefolius root tinctureFL/FR
aldehydic
1-undecanolFL/FR
citrus
 bergamot oilFL/FR
 bergamot oil bergaptene reduced italyFL/FR
 bergamot oil turkeyFL/FR
beta-bisabololFL/FR
 citral diethyl acetalFL/FR
 lime oil distilled mexicoFL/FR
 linaloolFL/FR
 mandarin oilFL/FR
 mandarin oil italyFL/FR
 nerolFL/FR
 neroli oil tunisiaFL/FR
 petitgrain lemon oilFL/FR
 petitgrain oil moroccoFL/FR
(±)-2,4,8-trimethyl-7-nonen-2-olFL/FR
fatty
2-dodecanoneFL/FR
2-ethyl-1-hexanolFL/FR
floral
 bois de rose oil brazilFL/FR
grassy
 palmarosa oilFL/FR
green
 dihydromyrcenolFL/FR
 nonanal dimethyl acetalFL/FR
waxy
 decanal (aldehyde C-10)FL/FR
woody
alpha-terpinyl acetateFL/FR
 
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Potential Uses:
 citrusFR
 floralFR
 fresh and cleanFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 aldehyde C-11 undecylic dimethyl acetal
1,1-dimethoxyundecane
 undecanal-dimethyl acetal
 undecane, 1,1-dimethoxy-
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