propyl valerate

flavor and fragrance agents

2D:
3D:
CAS Number:	141-06-0
ECHA EC Number:	205-452-4
FDA UNII:	28688DWX24
CoE Number:	679
Category:	flavor and fragrance agents
IUPAC Name:	propyl valerate
InChI :	InChI=1/C8H16O2/c1-3-5-6-8(9)10-7-4-2/h3-7H2,1-2H3
Std.InChI:	InChI=1S/C8H16O2/c1-3-5-6-8(9)10-7-4-2/h3-7H2,1-2H3
InChIKey :	ROJKPKOYARNFNB-UHFFFAOYAD
Std.InChIKey:	ROJKPKOYARNFNB-UHFFFAOYSA-N
SMILES :	CCCCC(=O)OCCC
MDL:	MFCD00048805
Molar Refractivity :	40.88 ± 0.3 cm3 (est)
Parachor :	375.1 ± 4.0 cm3 (est)
Index of Refraction :	1.412 ± 0.02 (est)
Surface Tension :	27.3 ± 3.0 dyne/cm (est)
Density :	0.878 ± 0.06 g/cm3 (est)
Polarizability :	16.20 ± 0.5 10-24cm3 (est)

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
DG SANTE Food Flavourings:	09.202 propyl valerate

Physical Properties:

Appearance:	colorless to pale yellow clear liquid (est)
Assay:	96.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.87200 @ 20.00 °C.
Refractive Index:	1.40500 @ 20.00 °C.
Melting Point:	-71.00 to -70.00 °C. @ 760.00 mm Hg
Boiling Point:	167.00 to 168.00 °C. @ 760.00 mm Hg
Vapor Pressure:	1.600000 mmHg @ 25.00 °C. (est)
Vapor Density:	4.9 ( Air = 1 )
Flash Point:	100.00 °F. TCC ( 37.78 °C. )
logP (o/w):	2.823 (est)
Soluble in:
	alcohol
	water, 308.7 mg/L @ 25 °C (est)
Insoluble in:
	water
Similar Items:note
allyl valerate
allyl isovalerate
amyl valerate
amyl isovalerate
isoamyl valerate
isoamyl isovalerate
para-anisyl isovalerate
para-anisyl valerate
benzyl valerate
benzyl isovalerate
bornyl valerate
bornyl isovalerate
(-)-bornyl isovalerate
isobornyl isovalerate
S-sec-butyl thioisovalerate
butyl valerate
butyl isovalerate
isobutyl valerate
isobutyl isovalerate
carvyl isovalerate
cinnamyl valerate
cinnamyl isovalerate
citronellyl valerate
citronellyl isovalerate
para-cresyl valerate
para-cresyl isovalerate
cyclohexyl valerate
cyclohexyl isovalerate
cyclotene isovalerate
decyl valerate
decyl isovalerate
ethyl valerate
ethyl isovalerate
eugenyl isovalerate
furfuryl isovalerate
furfuryl valerate
geranyl valerate
geranyl isovalerate
(E)-2-hepten-1-yl isovalerate
heptyl isovalerate
sec-heptyl isovalerate
heptyl valerate
(E)-2-hexen-1-yl valerate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl valerate
(Z)-3-hexen-1-yl isovalerate
hexyl valerate
hexyl isovalerate
linalyl valerate
linalyl isovalerate
menthyl valerate
menthyl isovalerate
methyl 2-methyl valerate
methyl 4-methyl valerate
2-methyl butyl isovalerate
4-methyl pentyl isovalerate
methyl thio isovalerate
methyl valerate
methyl isovalerate
myrtenyl isovalerate
neryl isovalerate
nonyl isovalerate
nonyl valerate
octyl valerate
octyl isovalerate
phenethyl isovalerate
2-phenethyl valerate
3-phenyl propyl isovalerate
phenyl propyl valerate
S-prenyl thioisovalerate
isopropyl thioisovalerate
propyl isovalerate
isopropyl valerate
isopropyl isovalerate
rhodinyl isovalerate
terpinyl isovalerate
terpinyl valerate

Organoleptic Properties:

ethereal fruity pineapple metallic animal

Cosmetic Information:

CosIng:	cosmetic data
Cosmetic Uses:	perfuming agents

Suppliers:

NI, Kosher

Safety Information:

European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection.

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:
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
Recommendation for propyl valerate usage levels up to:
	5.0000 % in the fragrance concentrate.

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :67328

National Institute of Allergy and Infectious Diseases:Data

WISER:UN 3272

WGK Germany:2

propyl pentanoate

Chemidplus:0000141060

References:

	propyl pentanoate
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	141-06-0
Pubchem (cid):	67328
Pubchem (sid):	135023591
Pherobase:	View

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
CHEBI:	View
HMDB (The Human Metabolome Database):	HMDB40296
FooDB:	FDB020018
Export Tariff Code:	2915.60.0000
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Potential Blenders and core components :

For Odor

alcoholic

fusel oil
FL/FR

animal

methyl (E)-2-octenoate
FL/FR

caramellic

maltyl propionate
FL/FR

cheesy

heptanoic acid
FL/FR

chemical

iso

butyl formate
FL/FR

propyl propionate
FL/FR

ethereal

acetal
FL/FR

butyl acetate
FL/FR

ethyl acetate
FL/FR

ethyl pyruvate
FL/FR

methyl acetate
FL/FR

methyl ethyl ketone
FL/FR

methyl valeraldehyde
FL/FR

iso

propyl acetate
FL/FR

iso

valeraldehyde propylene glycol acetal
FL/FR

fatty

allyl decanoate
FL/FR

allyl octanoate
FL/FR

methyl 2-hexenoate
FL/FR

floral

butyl tiglate
FR

geranyl valerate
FL/FR

nonan-3-yl acetate
FL/FR

phenethyl hexanoate
FL/FR

phenyl propyl isobutyrate
FL/FR

fruity

acetaldehyde diisoamyl acetal
FL/FR

allyl 10-undecenoate
FL/FR

allyl 3,5,5-trimethyl hexanoate
FL/FR

allyl amyl glycolate
FR

allyl butyrate
FL/FR

allyl cinnamate
FL/FR

allyl cyclohexyl acetate
FL/FR

allyl cyclohexyl butyrate
FL/FR

allyl cyclohexyl propionate
FL/FR

allyl heptanoate
FL/FR

allyl hexanoate
FL/FR

allyl isovalerate
FL/FR

allyl phenoxyacetate
FL/FR

allyl salicylate
FR

allyl sorbate
FL/FR

amyl acetate
FL/FR

amyl butyrate
FL/FR

amyl formate
FL/FR

amyl heptanoate
FL/FR

iso

amyl hexanoate
FL/FR

iso

amyl isobutyrate
FL/FR

iso

amyl octanoate
FL/FR

amyl propionate
FL/FR

iso

amyl propionate
FL/FR

benzyl ethyl ether
FL/FR

benzyl isovalerate
FL/FR

benzyl methyl ether
FL/FR

iso

butyl 2-butenoate
FL/FR

iso

butyl acetate
FL/FR

butyl butyrate
FL/FR

iso

butyl butyrate
FL/FR

iso

butyl furyl propionate
FL/FR

butyl hexanoate
FL/FR

iso

butyl hexanoate
FL/FR

butyl isobutyrate
FL/FR

iso

butyl isobutyrate
FL/FR

butyl isovalerate
FL/FR

butyl valerate
FL/FR

iso

butyl valerate
FL/FR

cherry pentenoate
FL/FR

cinnamyl isobutyrate
FL/FR

cyclohexyl butyrate
FL/FR

cyclohexyl hexanoate
FL/FR

ethyl (Z)-4-octenoate
FL/FR

ethyl 3-(2-furyl) propanoate
FL/FR

ethyl 3-hexenoate
FL/FR

ethyl 3-hydroxyhexanoate
FL/FR

ethyl 3-methyl valerate
FL/FR

ethyl 5-hydroxyoctanoate
FL/FR

ethyl butyl acetate
FL/FR

ethyl butyrate
FL/FR

ethyl cyclohexane propionate
FL/FR

ethyl heptanoate
FL/FR

ethyl hexanoate
FL/FR

ethyl isovalerate
FL/FR

ethyl levulinate
FL/FR

ethyl propionate
FL/FR

ethyl valerate
FL/FR

ethyl-2-cyclopentenyl acetate
FR

geranyl ethyl ether
FL/FR

geranyl isovalerate
FL/FR

heptanone
FL/FR

linalyl hexanoate
FL/FR

methyl (Z)-4-octenoate
FL/FR

methyl 2-methyl butyrate
FL/FR

methyl 4-methyl valerate
FL/FR

methyl butyrate
FL/FR

methyl hexanoate
FL/FR

methyl isobutyrate
FL/FR

methyl isovalerate
FL/FR

methyl valerate
FL/FR

pentanone
FL/FR

pineapple hydroxyhexanoate
FL/FR

pineapple pentenoate
FL/FR

iso

propyl 2-methyl butyrate
FL/FR

propyl butyrate
FL/FR

iso

propyl butyrate
FL/FR

propyl heptanoate
FL/FR

iso

propyl hexanoate
FL/FR

iso

propyl isobutyrate
FL/FR

iso

propyl isovalerate
FL/FR

iso

propyl propionate
FL/FR

tetrahydrofurfuryl butyrate
FL/FR

tropical ionone
FL/FR

undecanone
FL/FR

vanilla carboxylate
FL/FR

green

cognac heptanone
FL/FR

ethyl (E)-4-decenoate
FL/FR

galbanum oxyacetate
FR

galbascone (IFF)
FR

(E)-2-

hexen-1-yl valerate
FL/FR

hexenyl 2-methyl butyrate
FL/FR

manzanate (Givaudan)
FL/FR

methyl (E)-3-hexenoate
FL/FR

(Z)-2-

penten-1-ol
FL/FR

pineapple heptadienone 10%
FR

sorbyl isobutyrate
FL/FR

spirogalbanone (Givaudan)
FR

herbal

benzyl octanoate
FL/FR

herbal undecanone
FR

nutty

methyl-3-ethoxypyrazine
FL/FR

sulfurous

ethyl methyl mercaptopropionate
FL/FR

tropical

pina colada fragrance
FR

tropical 3-thiobutyrate
FL/FR

tropical oxathiane
FL/FR

waxy

allyl nonanoate
FL/FR

ethyl octanoate
FL/FR

For Flavor

No flavor group found for these

acetaldehyde diisoamyl acetal
FL/FR

allyl 10-undecenoate
FL/FR

allyl 3,5,5-trimethyl hexanoate
FL/FR

allyl cinnamate
FL/FR

allyl cyclohexyl butyrate
FL/FR

allyl cyclohexyl valerate
FL

allyl sorbate
FL/FR

iso

amyl 3-methyl thiopropionate
FL

amyl propionate
FL/FR

benzyl ethyl ether
FL/FR

benzyl octanoate
FL/FR

butyl methyl ketone
FL

cyclohexyl butyrate
FL/FR

cyclohexyl hexanoate
FL/FR

decen-2-one
FL

ethyl 2-methyl-2-(methyl thio) propionate
FL

ethyl 3-methyl valerate
FL/FR

ethyl 5-hydroxyoctanoate
FL/FR

ethyl cyclohexane propionate
FL/FR

ethyl cyclohexyl carboxylate
FL

geranyl ethyl ether
FL/FR

geranyl valerate
FL/FR

heptenoic acid
FL

linalyl hexanoate
FL/FR

methyl (Z)-4-octenoate
FL/FR

methyl 2-hexenoate
FL/FR

methyl butyl isobutyrate
FL

methyl butyl propionate
FL

S-(

methyl thio) hexanoate
FL

methyl-3-ethoxypyrazine
FL/FR

nonan-3-yl acetate
FL/FR

phenyl propyl isobutyrate
FL/FR

iso

propyl hexanoate
FL/FR

iso

propyl isobutyrate
FL/FR

iso

propyl isovalerate
FL/FR

sorbyl propionate
FL

iso

butyl furyl propionate
FL/FR

sorbyl isobutyrate
FL/FR

caramellic

maltyl propionate
FL/FR

chemical

methyl ethyl ketone
FL/FR

citrus

cognac heptanone
FL/FR

cooling

manzanate (Givaudan)
FL/FR

ethereal

butyl acetate
FL/FR

ethyl acetate
FL/FR

methyl acetate
FL/FR

methyl isobutyrate
FL/FR

iso

propyl acetate
FL/FR

fatty

allyl octanoate
FL/FR

ethyl (E)-4-decenoate
FL/FR

floral

tropical ionone
FL/FR

fruity

allyl cyclohexyl acetate
FL/FR

allyl cyclohexyl propionate
FL/FR

allyl decanoate
FL/FR

allyl heptanoate
FL/FR

allyl hexanoate
FL/FR

allyl isovalerate
FL/FR

allyl phenoxyacetate
FL/FR

amyl acetate
FL/FR

amyl butyrate
FL/FR

amyl formate
FL/FR

amyl heptanoate
FL/FR

amyl hexanoate
FL/FR

iso

amyl hexanoate
FL/FR

iso

amyl isobutyrate
FL/FR

iso

amyl octanoate
FL/FR

iso

amyl propionate
FL/FR

benzyl isovalerate
FL/FR

benzyl methyl ether
FL/FR

iso

butyl acetate
FL/FR

butyl butyrate
FL/FR

iso

butyl butyrate
FL/FR

iso

butyl hexanoate
FL/FR

butyl isobutyrate
FL/FR

iso

butyl isobutyrate
FL/FR

butyl isovalerate
FL/FR

iso

butyl valerate
FL/FR

cherry pentenoate
FL/FR

cinnamyl isobutyrate
FL/FR

ethyl (E)-2-octenoate
FL

ethyl (Z)-4-octenoate
FL/FR

ethyl 3-(2-furyl) propanoate
FL/FR

ethyl 3-hexenoate
FL/FR

ethyl 3-hydroxyhexanoate
FL/FR

ethyl butyl acetate
FL/FR

ethyl butyrate
FL/FR

ethyl heptanoate
FL/FR

ethyl hexanoate
FL/FR

ethyl isovalerate
FL/FR

ethyl levulinate
FL/FR

ethyl propionate
FL/FR

ethyl valerate
FL/FR

furfuryl valerate
FL

fusel oil
FL/FR

heptanone
FL/FR

methionyl butyrate
FL

methyl (E)-2-octenoate
FL/FR

Potential Uses:

FR	animal
FR	apple
	metallic
FR	pineapple

Occurrence (nature, food, other):

	apple fruit Search PMC Picture
	cananga odorata Search Trop Picture
	melon Search PMC Picture
	vanilla Search Picture

Synonyms:

	pentanoic acid propyl ester
	pentanoic acid, propyl ester
N-	propyl N-valerate
	propyl pentanoate
	propyl valerianate (propyl valerate)
	propyl-valerate
	valeric acid propyl ester
	valeric acid, propyl ester

Articles:

None found yet. Try the PubMed Search.

CONTENTS

EU/US Properties Organoleptic EU/US Suppliers Safety Safety in use Safety reference References Other Blenders Uses Occurrence Synonyms Articles