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

prune glycidate
pent-4-enonic acid, 2,3-anhydro-4,5-dideoxy-3-C-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, methyl ester, (4E)-

Supplier Sponsors

Name:3-methyl-3-[(E)-2-(2,6,6-trimethyl-1-cyclohex-2-enyl)ethenyl]oxirane-2-carboxylate
CAS Number: 67905-40-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:267-660-1
Nikkaji Web:J287.689B
XlogP3-AA:3.10 (est)
Molecular Weight:264.36488000
Formula:C16 H24 O3
NMR Predictor:Predict (works with chrome 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
 
Physical Properties:
Appearance:yellow clear liquid (est)
Assay: 92.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:1.00000 to 1.02000 @ 25.00 °C.
Pounds per Gallon - (est).: 8.321 to 8.487
Refractive Index:1.48800 to 1.49900 @ 20.00 °C.
Boiling Point: 120.00 °C. @ 1.00 mm Hg
Vapor Pressure:0.000309 mm/Hg @ 25.00 °C. (est)
Vapor Density:>1 ( Air = 1 )
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 4.884 (est)
Soluble in:
 alcohol
 water, 0.3702 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
Substantivity: > 336 hour(s) at 100.00 %
fruity raspberry prune
Odor Description:at 100.00 %. fruity raspberry prune
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
METHYL ALPHA IONONE GLYCIDATE ≥70.0% (sum of isomers), Kosher, Special Order
Odor Description:A long-lasting raspberry odor with a nuance of prune
Used in perfume blends for raspberry character.
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Bedoukian Research
METHYL ALPHA IONONE GLYCIDATE
≥70.0% (sum of isomers), Kosher, Special Order
Odor: A long-lasting raspberry odor with a nuance of prune
Use: Used in perfume blends for raspberry character.
BOC Sciences
For experimental / research use only.
METHYL ALPHA IONONE GLYCIDATE 70.0% (sum of isomers
Penta International
METHYL IONONE ALPHA GLYCIDATE
 
Safety Information:
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
 
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 > 5000 mg/kg
Used in perfume blends for raspberry character.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Used in perfume blends for raspberry character.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for prune glycidate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Recommendation for prune glycidate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):67905-40-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5472296
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3-methyl-3-[(E)-2-(2,6,6-trimethyl-1-cyclohex-2-enyl)ethenyl]oxirane-2-carboxylate
Chemidplus:0067905402
 
References:
 3-methyl-3-[(E)-2-(2,6,6-trimethyl-1-cyclohex-2-enyl)ethenyl]oxirane-2-carboxylate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:67905-40-2
Pubchem (cid):5472296
Pubchem (sid):135063034
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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:2918.99.2090
ChemSpider:View
 
Potential Blenders and core components note
For Odor
anisic
para-
anisyl propanal
FR
balsamic
conifer acetate
FR
ethyl cinnamate
FL/FR
guaiyl butyrate
FR
berry
raspberry ketone
FL/FR
raspberry ketone acetate
FL/FR
raspberry ketone methyl ether
FL/FR
floral
para-
anisyl butyrate
FL/FR
citronellyl formate
FL/FR
cyclohexyl ethyl acetate
FL/FR
beta-
damascenone
FL/FR
dihydro-alpha-ionone
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
ethyl ortho-anisate
FL/FR
heliotropyl acetone
FL/FR
hyacinth ether
FR
beta-
ionyl acetate
FL/FR
petitgrain mandarin oil
FL/FR
1-
phenyl propyl butyrate
FL/FR
propyl salicylate
FR
fruity
apple crotonate
FR
apricot isobutyrate
FR
artemisia pallens herb oil
FL/FR
3-
benzyl-4-heptanone
FL/FR
berry hexanoate
FR
butyl anthranilate
FL/FR
butyl formate
FL/FR
iso
butyl isovalerate
FL/FR
butyl valerate
FL/FR
cyclohexyl acetate
FL/FR
beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
dimethyl benzyl carbinyl isobutyrate
FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
ethyl 4-phenyl butyrate
FL/FR
fig crotonate
FR
geranyl butyrate
FL/FR
hexyl formate
FL/FR
neryl isobutyrate
FL/FR
octyl propionate
FL/FR
perillyl acetate
FL/FR
3-
phenyl propyl isovalerate
FL/FR
plum crotonate
FR
propyl acetate
FL/FR
raspberry dicarboxylate
FR
4-(para-
tolyl)-2-butanone
FL/FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
iso
amyl formate
FL/FR
heptyl formate
FL/FR
herbal
(S)-
campholene acetate
FL/FR
herbal undecanone
FR
powdery
para-
anisyl acetate
FL/FR
sulfurous
buchu mercaptan
FL/FR
woody
amber carbinol
FR
For Flavor
No flavor group found for these
butyl formate
FL/FR
ethyl 4-phenyl butyrate
FL/FR
ethyl ortho-anisate
FL/FR
1-
phenyl propyl butyrate
FL/FR
3-
phenyl propyl isovalerate
FL/FR
iso
amyl 3-(2-furan) propionate
FL/FR
beta-
damascone
FL/FR
anisic
anisic
para-
anisyl butyrate
FL/FR
balsamic
ethyl cinnamate
FL/FR
berry
dihydro-alpha-ionone
FL/FR
heliotropyl acetone
FL/FR
perillyl acetate
FL/FR
raspberry ketone
FL/FR
raspberry ketone acetate
FL/FR
raspberry ketone methyl ether
FL/FR
citrus
petitgrain mandarin oil
FL/FR
estery
octyl propionate
FL/FR
propyl acetate
FL/FR
fatty
heptyl formate
FL/FR
floral
dimethyl benzyl carbinyl butyrate
FL/FR
fruity
para-
anisyl acetate
FL/FR
artemisia pallens herb oil
FL/FR
3-
benzyl-4-heptanone
FL/FR
butyl anthranilate
FL/FR
butyl valerate
FL/FR
citronellyl formate
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
geranyl butyrate
FL/FR
neryl isobutyrate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
green
iso
amyl formate
FL/FR
iso
butyl isovalerate
FL/FR
cyclohexyl ethyl acetate
FL/FR
hexyl formate
FL/FR
jammy
(S)-
campholene acetate
FL/FR
solvent
cyclohexyl acetate
FL/FR
sulfurous
buchu mercaptan
FL/FR
woody
beta-
damascenone
FL/FR
beta-
ionyl acetate
FL/FR
 
Potential Uses:
FRberry
FRblueberry
FRguava
FRjasmin
FRmango
FRprune
FRraisin
FRraspberry
FRstrawberry
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 methyl (4E)-2,3-anhydro-4,5-dideoxy-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-4-enonate
 methyl 3-methyl-3-(2-(2,6,6-trimethyl cyclohex-2-en-1-yl)vinyl) oxirane-2-carboxylate
 methyl 3-methyl-3-(2-(2,6,6-trimethyl cyclohex-2-enyl)vinyl) oxirane-2-carboxylate
 methyl 3-methyl-3-(2-(2,6,6-trimethylcyclohex-2-en-1-yl)vinyl)oxirane-2-carboxylate
 methyl 3-methyl-3-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)vinyl]oxirane-2-carboxylate
 methyl a-ionone glycidate
 methyl alpha ionone glycidate
 methyl alpha-ionone glycidate
 methyl methyl trimethyl cyclohexenyl vinyl oxirane-2-carboxylate
3-methyl-3-[(E)-2-(2,6,6-trimethyl-1-cyclohex-2-enyl)ethenyl]oxirane-2-carboxylate
 oxiranecarboxylic acid, 3-methyl-3-(2-(2,6,6-trimethyl-2-cyclohexen-1-yl)ethenyl)-, methyl ester
 pent-4-enonic acid, 2,3-anhydro-4,5-dideoxy-3-C-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, methyl ester, (4E)-
 prune glycidate
 

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