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acetaldehyde dibutyl acetal

Chemical Structure

General Material Information

Preferred name acetaldehyde dibutyl acetal
Trivial Name 1,1-Dibutoxyethane
Short Description 1,1-dibutoxyethane
Formula C10 H22 O2
CAS Number 871-22-7
Flavis Number 6.033
ECHA Number 212-804-0
FDA UNII Search
Nikkaji Number J33.408A
Beilstein Number 1698922
COE Number 2341
xLogP3-AA 3.00 (est)
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • acetaldehyde, dibutyl acetal
  • butane, 1,1'-(ethylidenebis(oxy))bis-
  • butane, 1,1'-[ethylidenebis(oxy)]bis-
  • 1-(1-butoxyethoxy)butane
  • 1,1-di-N-butoxyethane
  • di-N-butyl acetal
  • dibutane acetal
  • 1,1-dibutoxyethane
  • dibutyl acetal
  • ethane, 1,1-dibutoxy-
  • 1,1'-( ethylidene bis(oxy)) dibutane
  • 1,1'-( ethylidenebis(oxy))bisbutane
  • 1,1'-( ethylidenebis(oxy))dibutane
  • 1,1'-[ ethylidenebis(oxy)]dibutane
  • firmaflore
  • 6-methyl-5,7-dioxaundecane
  • 1-(1-butoxyethoxy)butane
  • Butane, 1,1′-[ethylidenebis(oxy)]bis-
  • 1,1′-[Ethylidenebis(oxy)]bis[butane]
  • 1,1-Dibutoxyethane
  • Dibutylacetal
  • NSC 5314

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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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 174.28373718262
Boiling Point 191 to 193°C @ 760 mm Hg
Vapor Pressure 0.68 mmHg @ 25 °C
Flash Point TCC Value 46.11 °C TCC
logP (o/w) 3.06 est
Solubility
alcohol Yes
water, 447.2 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
floral, rose, green, seaweed, algae
General comment At 10.00 % in dipropylene glycol. floral rose green chloroform

Occurrences

Potential Uses

Applications
Odor purposes Carnation, Green, Lily of the valley, Rose, Rose red rose, Violet
Other purposes Topnotes

Safety Information

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:
oral-rat LD50 8790 mg/kg
(Smyth et al., 1954)

oral-rat LD50 8790 mg/kg
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

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
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.073 (μg/capita/day)

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)
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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
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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
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EPI System: View
AIDS Citations:Search
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Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :79117
National Institute of Allergy and Infectious Diseases:Data
1-(1-butoxyethoxy)butane
Chemidplus:0000871227