EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

octanal glycol acetal
cycloctal (IFF)

Supplier Sponsors

Name:2-heptyl-1,3-dioxolane
CAS Number: 4359-57-3Picture of molecule3D/inchi
Other(deleted CASRN):957464-81-2
ECHA EINECS - REACH Pre-Reg:224-438-9
FDA UNII: Search
Nikkaji Web:J205.740I
XlogP3-AA:3.30 (est)
Molecular Weight:172.26780000
Formula:C10 H20 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category: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
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.90100 to 0.90900 @ 25.00 °C.
Pounds per Gallon - (est).: 7.497 to 7.564
Specific Gravity:0.90200 to 0.91000 @ 20.00 °C.
Pounds per Gallon - est.: 7.514 to 7.581
Refractive Index:1.43100 to 1.43600 @ 20.00 °C.
Boiling Point: 212.25 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.254000 mmHg @ 25.00 °C. (est)
Flash Point: 187.00 °F. TCC ( 86.11 °C. )
logP (o/w): 3.140 (est)
Soluble in:
 alcohol
 water, 147.1 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 alkalis
 
Organoleptic Properties:
Odor Type: citrus
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Substantivity:20 hour(s) at 100.00 %
fresh citrus orange aldehydic fatty
Odor Description:at 10.00 % in dipropylene glycol. fresh citrus orange aldehydic fatty
Luebke, William tgsc, (1993)
Odor sample from: International Flavors & Fragrances Inc.
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Beijing Lys Chemicals
2-Heptyl-1,3-dioxolane
BOC Sciences
For experimental / research use only.
2-Heptyl-1,3-dioxolane
Global Essence
Cycloctal / Octanal glycol acetal
WholeChem
2-Heptyl-1,3-dioxolane
 
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
 
Safety in Use Information:
Category:
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 octanal glycol acetal usage levels up to:
  10.0000 % in the fragrance concentrate.
 
Recommendation for octanal glycol acetal flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):4359-57-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :78067
National Institute of Allergy and Infectious Diseases:Data
2-heptyl-1,3-dioxolane
Chemidplus:0004359573
 
References:
 2-heptyl-1,3-dioxolane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:4359-57-3
Pubchem (cid):78067
Pubchem (sid):135036588
 
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
 
Potential Blenders and core components note
For Odor
aldehydic
(Z)-4-
dodecenal
FL/FR
1-
formyl-3-isohexenyl-3-cyclohexene
FR
iso
freshal
FR
3-
methyl-4-(3-methly-3-methoxybutyl oxy) butyraldehyde
FR
3-
methyl-4-heptyl oxybutyraldehyde
FR
3-
methyl-4-octyl oxybutyraldehyde
FR
octanal (aldehyde C-8)
FL/FR
octane nitrile
FR
undecanal
FL/FR
(Z)-8-
undecenal
FR
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
citrus
aldehydic nitrile
FR
citrus paradisi peel extract
FL/FR
citrus reticulata blanco var. tangerine oil
FL/FR
curacao specialty
FR
4-
decenal
FL/FR
(Z)-4-
decenal
FL/FR
(Z)-7-
decenal
FR
(E)-4-
decenal
FL/FR
(Z)-4-
decenal diethyl acetal
FR
dodecane nitrile
FR
clementine
mandarin fragrance
FR
mandarin oil
FL/FR
mandarin oil italy
FL/FR
marine decadienal
FR
(+)-
nootkatone
FL/FR
orange fruit oil
FL/FR
blood
orange oil italy
FL/FR
bitter
orange peel oil
FL/FR
bitter
orange peel oil brazil
FL/FR
sweet
orange peel oil c.p. brazil
FL/FR
sweet
orange peel oil c.p. california
FL/FR
sweet
orange peel oil c.p. china
FL/FR
sweet
orange peel oil c.p. egypt
FL/FR
sweet
orange peel oil c.p. florida
FL/FR
sweet
orange peel oil c.p. valencia
FL/FR
sweet
orange peel oil distilled
FL/FR
bitter
orange peel oil italy
FL/FR
sweet
orange peel oil terpeneless
FL/FR
bitter
orange peel oil terpeneless
FL/FR
alpha-
sinensal
FL/FR
beta-
sinensal
FL/FR
tangerine oil america
FL/FR
tangerine oil california
FL/FR
fatty
(E)-2-
nonenal
FL/FR
(S)-gamma-
undecalactone
FL/FR
fruity
(E)-2-
undecenal
FL/FR
green
cilantro leaf oil
FL/FR
heptanal (aldehyde C-7)
FL/FR
hexanal (aldehyde C-6)
FL/FR
(Z)-3-
hexen-1-yl oxyacetaldehyde
FR
(E)-2-
hexenal
FL/FR
olive oil absolute
FL/FR
herbal
7-
allyl benzo[b][1,4]dioxepin-3-one
FR
cardamom liquid resin
FR
(E)-2-
dodecenal
FL/FR
spicy
cumin seed absolute
FL/FR
waxy
decanal diethyl acetal
FL/FR
3-
decanone
FL/FR
methyl octanoate
FL/FR
2-
nonanol
FL/FR
octanol
FL/FR
For Flavor
No flavor group found for these
3-
decanone
FL/FR
4-
decenal
FL/FR
(Z)-4-
dodecenal
FL/FR
beta-
sinensal
FL/FR
(S)-gamma-
undecalactone
FL/FR
aldehydic
aldehydic
octanal (aldehyde C-8)
FL/FR
citrus
cilantro leaf oil
FL/FR
citrus paradisi peel extract
FL/FR
citrus reticulata blanco var. tangerine oil
FL/FR
(Z)-4-
decenal
FL/FR
mandarin oil
FL/FR
mandarin oil italy
FL/FR
(+)-
nootkatone
FL/FR
orange fruit oil
FL/FR
blood
orange oil italy
FL/FR
bitter
orange peel oil
FL/FR
sweet
orange peel oil c.p. brazil
FL/FR
sweet
orange peel oil c.p. california
FL/FR
sweet
orange peel oil c.p. china
FL/FR
sweet
orange peel oil c.p. egypt
FL/FR
sweet
orange peel oil c.p. florida
FL/FR
sweet
orange peel oil c.p. valencia
FL/FR
sweet
orange peel oil distilled
FL/FR
bitter
orange peel oil italy
FL/FR
bitter
orange peel oil terpeneless
FL/FR
sweet
orange peel oil terpeneless
FL/FR
alpha-
sinensal
FL/FR
tangerine oil america
FL/FR
tangerine oil california
FL/FR
fatty
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
fruity
bitter
orange peel oil brazil
FL/FR
green
(E)-4-
decenal
FL/FR
heptanal (aldehyde C-7)
FL/FR
hexanal (aldehyde C-6)
FL/FR
(E)-2-
hexenal
FL/FR
methyl octanoate
FL/FR
(E)-2-
nonenal
FL/FR
oily
olive oil absolute
FL/FR
spicy
cumin seed absolute
FL/FR
waxy
decanal diethyl acetal
FL/FR
(E)-2-
dodecenal
FL/FR
2-
nonanol
FL/FR
octanol
FL/FR
undecanal
FL/FR
(E)-2-
undecenal
FL/FR
 
Potential Uses:
FL/FRcilantro
FRcitrus
FRcologne
FRkumquat
FRmock orange
FRorange
FL/FRorange bitter orange peel
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 aldehyde C-8 glycol acetal
 cycloctal (IFF)
1,3-dioxolane, 2-heptyl-
2-heptyl-1,3-dioxolane
 octanal ethylene glycol cyclic acetal
 octanal glycol acetal
 octanal glycolacetal
 
 
Notes:
Blends well with citrus topnotes.
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