(S)-ocean propanal
(S)-helional
 
Notes:
None found
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CAS Number: 737776-68-0Picture of molecule3D/inchi
XlogP3: 2.20 (est)
Molecular Weight: 192.21424000
Formula: C11 H12 O3
NMR Predictor: Predict (works with chrome or firefox)
Category: information only not used for fragrances or flavors
 
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
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Physical Properties:
Appearance: colorless to yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 286.00 to  287.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.003000 mmHg @ 25.00 °C. (est)
Flash Point: 244.00 °F. TCC ( 117.60 °C. ) (est)
logP (o/w): 1.982 (est)
Soluble in:
 alcohol
 water, 342.6 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: floral
 
Odor Strength: medium
 
 green  floral  marine  ozone  fruity  sweet  cumin  
Odor Description:
at 100.00 %. 
green floral marine ozone fruity sweet cumin
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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Safety Information:
 
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: information only not used for fragrances or flavors
Recommendation for (S)-ocean propanal usage levels up to:
 not for fragrance use.
 
Recommendation for (S)-ocean propanal flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 45160950
National Institute of Allergy and Infectious Diseases: Data
 (2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropanal
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References:
Leffingwell: Chirality or Article
 (2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropanal
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 45160950
Pubchem (sid): 45160950
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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
ChemSpider: View
Wikipedia: View
Wikipedia2: View2
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
(S)-aquanal
(-)-(2S)-3-(1,3-benzodioxol-5-yl)-2-methyl propanal
(2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropanal
(S)-floramelon
(S)-neohelial
(S)-heliobouquet
(S)-heliolan
(S)-helional
(S)-alpha-methyl-1,3-benzodioxole-5-propanal
(S)-alpha-methyl-1,3-benzodioxole-5-propionaldehyde
(S)-2-methyl-3-(3,4-methyene dioxyphenyl) propionaldehyde
(S)-2-methyl-3-(3,4-methyenedioxyphenyl)propionaldehyde
(S)-2-methyl-3-(3,4-methylene dioxyphenyl) hydrocinnamaldehyde
(S)-2-methyl-3-(3,4-methylene dioxyphenyl) propanal
(S)-2-methyl-3-(3,4-methylenedioxyphenyl)propanal
(S)-alpha-methyl-3,4-(methylene dioxy) hydrocinnamaldehyde
(S)-alpha-methyl-3,4-(methylenedioxy)hydrocinnamaldehyde
(S)-alpha-methyl-3,4-methylene dioxyhydrocinnamic aldehyde
(S)-3-(3,4-methylene dioxyphenyl)-2-methyl propanal
(S)-3-(3,4-methylenedioxyphenyl)-2-methylpropanal
(S)-neohelial
(S)-tropional
(S)-(-)-tropional
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Articles:
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