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

apple crotonate
frutinat (Symrise)

Supplier Sponsors

Name:4-methylpentan-2-yl (E)-but-2-enoate
CAS Number: 35206-51-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:252-438-9
Nikkaji Web:J289.934E
Beilstein Number:14626585
XlogP3-AA:3.10 (est)
Molecular Weight:170.25186000
Formula:C10 H18 O2
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:colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 80.00 °C. @ 15.00 mm Hg
Boiling Point: 204.00 to 205.00 °C. @ 760.00 mm Hg
Acid Value: 2.00 max. KOH/g
Vapor Pressure:0.261000 mm/Hg @ 25.00 °C. (est)
Flash Point: 161.00 °F. TCC ( 71.67 °C. )
logP (o/w): 3.400
Soluble in:
 alcohol
 water, 69.56 mg/L @ 25 °C (est)
Similar Items:note
allyl crotonate
isoamyl crotonate
benzyl crotonate
butyl (E)-2-crotonate
citronellyl crotonate
cyclohexyl crotonate
dimethyl benzyl carbinyl crotonate
ethyl (E)-2-crotonate
ethyl crotonate
fig crotonate
geranyl crotonate
heptyl crotonate
(Z)-3-hexen-1-yl (E)-crotonate
(E)-3-hexen-1-yl crotonate
hexyl (E)-crotonate
octyl crotonate
phenethyl crotonate
3-phenyl propyl crotonate
plum crotonate
isopropyl (E)-crotonate
propyl crotonate
isopropyl 3-methyl thiocrotonate
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
fruity juicy apple pear plum grape
Odor Description:at 100.00 %. fruity juicy apple pear plum grape
Luebke, William tgsc, (1988)
Odor sample from: Harrmann & Reimer Corporation
Odor and/or flavor descriptions from others (if found).
Symrise
Frutinat
Odor Description:a juicy-fruity odor, reminiscent of apple, pear, plum and grape
Stable in: body lotion (good), shampoo (very good), soap (very good), ap roll-on (good), powder (very good), cleaner citric (good), cleaner apc (very good), bleach (poor).
Tadimety Aromatics
Damasconate
Odor Description:Fruity Juicy apple pear plum grape
Moellhausen
FRUTINAT
Odor Description:a juicy-fruity odor, reminiscent of apple, pear, plum and grape
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Associate Allied Chemicals
Frutinat
About
Augustus Oils
Frutinat
Services
Grau Aromatics
DAMASCIA (METHYLISOBUTYLCARBINYLCROTONATE)
Lluch Essence
DIMETHYL BUTYL CROTONATE
Odor: FRUITY, FRESH
Moellhausen
FRUTINAT
PCAS
Zlivate
PCW France
Damasconate
Steps to a fragranced product
SRS Aromatics
DAMASCIA
Symrise
Frutinat
Odor: a juicy-fruity odor, reminiscent of apple, pear, plum and grape
Use: Stable in: body lotion (good), shampoo (very good), soap (very good), ap roll-on (good), powder (very good), cleaner citric (good), cleaner apc (very good), bleach (poor).
Tadimety Aromatics
Damasconate
Odor: Fruity Juicy apple pear plum grape
Vigon International
Frutinate
Odor: A juicy-fruity fragrance, reminiscent of apple, pear, plum and grape
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
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.
Human Experience:
100%: slight irritation.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for apple crotonate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Recommendation for apple crotonate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):35206-51-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6440993
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
4-methylpentan-2-yl (E)-but-2-enoate
Chemidplus:0035206510
 
References:
 4-methylpentan-2-yl (E)-but-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:35206-51-0
Pubchem (cid):6440993
Pubchem (sid):135118225
 
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
ChemSpider:View
 
Potential Blenders and core components note
For Odor
animal
methyl (E)-2-octenoate
FL/FR
balsamic
ethyl cinnamate
FL/FR
guaiyl butyrate
FR
caramellic
maltyl isobutyrate
FL/FR
citrus
orange fragrance
FR
orange oil replacer
FR
sweet
orange peel oil c.p. brazil
FL/FR
orange specialty
FR
fatty
3-
decen-2-one
FL/FR
fermented
hexanal diethyl acetal
FL/FR
floral
para-
anisyl butyrate
FL/FR
citronellyl formate
FL/FR
beta-
damascenone
FL/FR
alpha-
damascone
FL/FR
gamma-
damascone
FR
(Z)-4-
decen-1-yl acetate
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
hexyl 2-furoate
FL/FR
methyl citronellate
FL/FR
petitgrain mandarin oil
FL/FR
phenethyl acetate
FL/FR
1-
phenyl propyl butyrate
FL/FR
propyl salicylate
FR
fruity
amyl 2-methyl butyrate
FL/FR
amyl acetate
FL/FR
iso
amyl butyrate
FL/FR
amyl hexanoate
FL/FR
amyl isobutyrate
FL/FR
amyl isovalerate
FL/FR
iso
amyl valerate
FL/FR
apple fragrance
FR
apple ketal
FL/FR
apple pear fragrance
FR
apricot isobutyrate
FR
benzyl isovalerate
FL/FR
benzyl propionate
FL/FR
3-
benzyl-4-heptanone
FL/FR
butyl anthranilate
FL/FR
butyl formate
FL/FR
iso
butyl isovalerate
FL/FR
butyl isovalerate
FL/FR
cyclohexyl butyrate
FL/FR
cyclohexyl isovalerate
FL/FR
beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl (E)-4-octenoate
FR
ethyl (Z)-4-octenoate
FL/FR
ethyl 2-cyclohexyl propionate
FR
ethyl 4-phenyl butyrate
FL/FR
ethyl butyrate
FL/FR
ethyl cyclohexane propionate
FL/FR
ethyl isovalerate
FL/FR
ethyl propionate
FL/FR
ethyl valerate
FL/FR
ethyl-2-cyclopentenyl acetate
FR
fruity ketal
FL/FR
geranyl 2-methyl butyrate
FL/FR
geranyl isovalerate
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
2-
hexenyl cyclopentanyl acetate
FR
hexyl (E)-tiglate
FL/FR
hexyl formate
FL/FR
hexyl isovalerate
FL/FR
hexyl propionate
FL/FR
juicy fruit fragrance
FR
kiwi fragrance
FR
kiwi specialty
FR
kumquat fragrance
FR
linalyl hexanoate
FL/FR
3-
mercaptohexyl acetate
FL/FR
methyl (E,Z)-2,4-decadienoate
FL/FR
methyl 2-octenoate
FL/FR
methyl 3-nonenoate
FL/FR
2-
methyl butyl acetate
FL/FR
2-
methyl butyl butyrate
FL/FR
methyl butyrate
FL/FR
methyl isovalerate
FL/FR
methyl nonanoate
FL/FR
methyl valerate
FL/FR
2-
methyl-2-pentenal
FL/FR
nerolidyl isobutyrate
FR
nonyl isovalerate
FL/FR
(Z)-3-
octen-1-yl propionate
FL/FR
peach fragrance
FR
peach specialty
FR
pear valerate
FR
3-
phenyl propyl isovalerate
FL/FR
plum crotonate
FR
propyl 2,4-decadienoate
FL/FR
propyl acetate
FL/FR
propyl heptanoate
FL/FR
propyl hexanoate
FL/FR
iso
propyl isobutyrate
FL/FR
propyl isobutyrate
FL/FR
iso
propyl isovalerate
FL/FR
propyl isovalerate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
green
acetaldehyde methyl hexyl acetal
FR
iso
amyl formate
FL/FR
butyl heptanoate
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
green note propionate
FL/FR
heptanal dimethyl acetal
FL/FR
heptyl acetate
FL/FR
heptyl formate
FL/FR
(Z)-3-
hexen-1-yl (Z)-3-hexenoate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl angelate
FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexenal diethyl acetal
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
melon nonenoate
FL/FR
methyl (E)-3-hexenoate
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
3,6-
nonadien-1-yl acetate
FL/FR
3-
octyl formate
FL/FR
(E)-2-
pentenal
FL/FR
sorbyl isobutyrate
FL/FR
(E,E)-
sorbyl isobutyrate
FL/FR
herbal
viridiflorol
FL/FR
melon
(Z)-6-
nonen-1-yl acetate
FL/FR
musk
musk propanoate
FR
powdery
para-
anisyl acetate
FL/FR
sulfurous
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
passiflora acetate
FL/FR
tropical
ethyl (Z)-3-hexenoate
FL/FR
waxy
ethyl decanoate
FL/FR
ethyl octanoate
FL/FR
(E)-2-
tridecen-1-yl acetate
FL/FR
woody
marine formate
FR
For Flavor
No flavor group found for these
amyl 2-methyl butyrate
FL/FR
amyl isobutyrate
FL/FR
amyl isovalerate
FL/FR
butyl formate
FL/FR
cyclohexyl butyrate
FL/FR
(Z)-4-
decen-1-yl acetate
FL/FR
ethyl (Z)-3-hexenoate
FL/FR
ethyl 4-phenyl butyrate
FL/FR
ethyl cyclohexane propionate
FL/FR
geranyl 2-methyl butyrate
FL/FR
hexanal diethyl acetal
FL/FR
(Z)-3-
hexenal diethyl acetal
FL/FR
hexyl propionate
FL/FR
linalyl hexanoate
FL/FR
methyl (E,Z)-2,4-decadienoate
FL/FR
methyl 2-octenoate
FL/FR
nonyl isovalerate
FL/FR
1-
phenyl propyl butyrate
FL/FR
3-
phenyl propyl isovalerate
FL/FR
iso
propyl isobutyrate
FL/FR
iso
propyl isovalerate
FL/FR
propyl isovalerate
FL/FR
(E,E)-
sorbyl isobutyrate
FL/FR
(E)-2-
tridecen-1-yl acetate
FL/FR
viridiflorol
FL/FR
beta-
damascone
FL/FR
sorbyl isobutyrate
FL/FR
anisic
anisic
para-
anisyl butyrate
FL/FR
balsamic
ethyl cinnamate
FL/FR
citrus
sweet
orange peel oil c.p. brazil
FL/FR
petitgrain mandarin oil
FL/FR
estery
propyl acetate
FL/FR
fatty
heptyl formate
FL/FR
floral
dimethyl benzyl carbinyl butyrate
FL/FR
methyl citronellate
FL/FR
fruity
amyl acetate
FL/FR
amyl hexanoate
FL/FR
iso
amyl valerate
FL/FR
para-
anisyl acetate
FL/FR
apple ketal
FL/FR
benzyl isovalerate
FL/FR
benzyl propionate
FL/FR
3-
benzyl-4-heptanone
FL/FR
butyl anthranilate
FL/FR
butyl heptanoate
FL/FR
butyl isovalerate
FL/FR
citronellyl formate
FL/FR
cyclohexyl isovalerate
FL/FR
(E)-beta-
damascone
FL/FR
alpha-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl (Z)-4-octenoate
FL/FR
ethyl butyrate
FL/FR
ethyl isovalerate
FL/FR
ethyl propionate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
methyl (E)-2-octenoate
FL/FR
methyl 3-nonenoate
FL/FR
2-
methyl butyl acetate
FL/FR
2-
methyl butyl butyrate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
2-
methyl-2-pentenal
FL/FR
(Z)-3-
octen-1-yl propionate
FL/FR
propyl hexanoate
FL/FR
propyl isobutyrate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
fusel
methyl butyrate
FL/FR
green
iso
amyl formate
FL/FR
iso
butyl isovalerate
FL/FR
cassis pentanone
FL/FR
3-
decen-2-one
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
geranyl isovalerate
FL/FR
green note propionate
FL/FR
heptanal dimethyl acetal
FL/FR
heptyl acetate
FL/FR
(Z)-3-
hexen-1-yl (Z)-3-hexenoate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
hexyl (E)-tiglate
FL/FR
hexyl 2-furoate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl formate
FL/FR
hexyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
melon nonenoate
FL/FR
methyl (E)-3-hexenoate
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
3,6-
nonadien-1-yl acetate
FL/FR
(Z)-6-
nonen-1-yl acetate
FL/FR
(E)-2-
pentenal
FL/FR
honey
phenethyl acetate
FL/FR
jammy
maltyl isobutyrate
FL/FR
melon
propyl 2,4-decadienoate
FL/FR
sulfurous
buchu mercaptan
FL/FR
tropical
3-
mercaptohexyl acetate
FL/FR
passiflora acetate
FL/FR
waxy
iso
amyl butyrate
FL/FR
ethyl decanoate
FL/FR
ethyl octanoate
FL/FR
3-
octyl formate
FL/FR
propyl heptanoate
FL/FR
winey
methyl nonanoate
FL/FR
woody
beta-
damascenone
FL/FR
 
Potential Uses:
FRapple
FRfruit
FRgrape
FRpear
FRplum
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 apple crotonate
2-butenoic acid 1,3-dimethyl butyl ester
2-butenoic acid, 1,3-dimethylbutyl ester
 damascia (Grau)
 damasconate
1,3-dimethyl butyl 2-butenoate
 dimethyl butyl crotonate
1,3-dimethylbutyl 2-butenoate
 frutinat (Symrise)
 frutinate
 methyl isobutyl carbinyl crotonate
4-methyl pentan-2-yl (E)-2-butenoate
4-methyl pentan-2-yl (E)-but-2-enoate
 methylisobutylcarbinyl crotonate
4-methylpentan-2-yl (E)-but-2-enoate
 

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