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

1-hepten-3-ol
(+/-)-1-hepten-3-ol

Sponsors

Name:hept-1-en-3-ol
CAS Number: 4938-52-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:225-579-9
FDA UNII:39TWV35509
Nikkaji Web:J99.911C
Beilstein Number:1720340
MDL:MFCD00021940
CoE Number:10218
XlogP3-AA:2.00 (est)
Molecular Weight:114.18778000
Formula:C7 H14 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and 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
JECFA Food Flavoring:1842 (+/-)-1-hepten-3-ol
FLAVIS Number:02.155 (Old)
DG SANTE Food Flavourings:02.155 1-hepten-3-ol
FEMA Number:4129 (+/-)-1-hepten-3-ol
FDA Mainterm: (+/-)-1-HEPTEN-3-OL
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.83400 to 0.83700 @ 25.00 °C.
Pounds per Gallon - (est).: 6.940 to 6.965
Refractive Index:1.43100 to 1.43700 @ 20.00 °C.
Boiling Point: 155.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.162000 mm/Hg @ 25.00 °C. (est)
Vapor Density:3.9 ( Air = 1 )
Flash Point: 129.00 °F. TCC ( 53.89 °C. )
logP (o/w): 2.010 (est)
Soluble in:
 alcohol
 propylene glycol
 water, 5435 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: green
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
Substantivity: < 1 hour(s) at 1.00 % in propylene glycol
oily green metallic acrylate tomato spicy
Odor Description:at 1.00 % in dipropylene glycol. oily green metallic acrylate tomato spicy
Luebke, William tgsc, (2006)
Odor sample from: Sigma-Aldrich
earthy green fruity mushroom
Odor Description:earthy green fruity mushroom
Flavor Type: green
">sweet green plastic metallic weedy
Taste Description: at 1.00 ppm in water. sweet green plastic metallic weedy
Luebke, William tgsc, (2006)
Odor and/or flavor descriptions from others (if found).
Frutarom
1-HEPTEN-3-OL ≥98.00%, NI, Kosher
Odor Description:Earthy, Fruity, Green, Mushroom
Suggested Uses: Coffee, Mushroom, Pepper
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
1-Hepten-3-ol
BOC Sciences
For experimental / research use only.
1-Hepten-3-ol
Charkit Chemical
HEPTEN-3-OL, 1- FEMA 4129
Frutarom
1-HEPTEN-3-OL
≥98.00%, NI, Kosher
Odor: Earthy, Fruity, Green, Mushroom
Use: Suggested Uses: Coffee, Mushroom, Pepper
Penta International
1-HEPTEN-3-OL, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
1-Hepten-3-ol
Sigma-Aldrich
1-Hepten-3-ol, ≥98%, FG
Certified Food Grade Products
Synerzine
1-Hepten-3-ol
Taytonn
1-Hepten-3-ol
Odor: Earthy, Fruity, Green, Mushroom
 
Safety Information:
Preferred SDS: View
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 36/37/39 - Wear suitable clothing, 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
Recommendation for 1-hepten-3-ol usage levels up to:
  0.1000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.13 (μg/capita/day)
Structure Class: II
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 22
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: 0.050000.10000
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.100000.20000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.100000.20000
milk products: --
nut products: --
other grains: --
poultry: 0.050000.10000
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.500000.80000
snack foods: 0.050000.10000
soft candy: --
soups: 0.050000.10000
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
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):
Scientific Opinion on Flavouring Group Evaluation 205 (FGE.205): Consideration of genotoxicity data on representatives for 13 a,-unsaturated aliphatic ketones with terminal double bonds and precursors from chemical subgroup 1.2.2 of FGE.19 by EFSA
View page or View pdf
Scientific opinion of Flavouring Group Evaluation 205 Revision 1 (FGE.205Rev1): consideration of genotoxicity data on representatives for 13 a,-unsaturated aliphatic ketones with terminal double bonds and precursors from chemical subgroup 1.2.2 of FGE.19
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 63, Revision 3 (FGE.63Rev3): aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA):4938-52-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :21057
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1987
WGK Germany:3
hept-1-en-3-ol
Chemidplus:0004938527
 
References:
Leffingwell:Chirality or Article
 hept-1-en-3-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:4938-52-7
Pubchem (cid):21057
Pubchem (sid):134985578
Pherobase:View
 
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
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):Search
FooDB:FDB009551
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
acrylate
ethyl methacrylate
CS
aldehydic
fresh carbaldehyde
FR
iso
freshal
FR
anise
sweet
fennel seed oil
FL/FR
anisic
ocimum basilicum herb oil
FL/FR
ocimum basilicum leaf oil CO2 extract
FL/FR
balsamic
2-
phenyl propyl alcohol
FL/FR
citrus
lime oil fractions
FR
valencene
FL/FR
coconut
delta-
heptalactone
FL/FR
earthy
1-
octen-3-ol
FL/FR
floral
cyclohexyl salicylate
FR
floral pyran
FR
gardenia pentyl acetate
FR
geranium oil bourbon
FL/FR
herbal pyran
FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
hyacinth ether
FR
jasmopyrane (Givaudan)
FR
methyl jasmonate
FL/FR
phenethyl butyl ether
FR
phenyl propyl phenyl acetate
FR
fruity
butyl 2-decenoate
FL/FR
iso
butyl octanoate
FL/FR
ethyl 3-hexenoate
FL/FR
nerolidyl isobutyrate
FR
octyl butyrate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
green
2-iso
butyl thiazole
FL/FR
carrot leaf oil (daucus carota ssp.maximus)
FR
coriander heptenol
FL/FR
geranium thiazole
FL/FR
green ether
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl octanoate
FL/FR
(Z)-3-
hexen-1-yl pyruvate
FL/FR
3-
hexenal
FL/FR
2-(2-
methyl allyl oxy) heptane
FR
6-
methyl-3-hepten-2-one
FL/FR
olive oil absolute
FL/FR
(E)-2-
pentenal
FL/FR
privet dioxane
FR
iso
propyl quinoline
FR
4-iso
propyl quinoline
FL/FR
(E,E)-
sorbyl acetate
FL/FR
violet decenol
FR
herbal
alpha-
amyl cinnamyl formate
FL/FR
anethum graveolens herb oil
FL/FR
daucus carota fruit oil
FL/FR
hop absolute
FL/FR
hop oil
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
laevo-
perillaldehyde
FL/FR
thyme absolute
FL/FR
melon
melon heptenal
FL/FR
spicy
iso
butyl angelate
FL/FR
carrot weed oil
FL/FR
cinnamaldehyde dimethyl acetal
FL/FR
cumin seed absolute
FL/FR
black
currant bud absolute
FL/FR
sulfurous
cassis pentanone
FL/FR
dimethyl sulfide
FL/FR
ethyl methyl mercaptopropionate
FL/FR
lychee mercaptan acetate
FL/FR
methyl 3-(methyl thio) propionate
FL/FR
3-(
methyl thio) hexanol
FL/FR
vegetable
methional
FL/FR
waxy
cyclododecyl acetate
FR
octyl isobutyrate
FL/FR
woody
louro brasileiro wood oil
FR
sabinene
FL/FR
For Flavor
No flavor group found for these
alpha-
amyl cinnamyl formate
FL/FR
iso
butyl octanoate
FL/FR
coriander heptenol
FL/FR
epoxy-2-decenal
FL
(E)-6-
methyl-3-hepten-2-one
FL/FR
6-
methyl-3-hepten-2-one
FL/FR
4-iso
propyl quinoline
FL/FR
alliaceous
alliaceous
truffle sulfide
FL
anise
sweet
fennel seed oil
FL/FR
aromatic
laevo-
perillaldehyde
FL/FR
citrus
valencene
FL/FR
creamy
octyl isobutyrate
FL/FR
fatty
(E,E)-2,4-
heptadienal
FL
fermented
methyl thio isovalerate
FL
floral
geranium oil bourbon
FL/FR
methyl jasmonate
FL/FR
fruity
butyl 2-decenoate
FL/FR
ethyl 3-hexenoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
green
iso
butyl angelate
FL/FR
2-iso
butyl thiazole
FL/FR
carrot weed oil
FL/FR
cassis pentanone
FL/FR
geranium thiazole
FL/FR
green ether
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
(E,E)-2,4-
hexadienal
FL
(Z)-4-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl octanoate
FL/FR
(Z)-3-
hexen-1-yl pyruvate
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
3-
hexenal
FL/FR
melon heptenal
FL/FR
4-
penten-1-yl acetate
FL
(E)-2-
pentenal
FL/FR
2-
phenyl propyl alcohol
FL/FR
(E,E)-
sorbyl acetate
FL/FR
sorbyl acetate
FL
herbal
anethum graveolens herb oil
FL/FR
daucus carota fruit oil
FL/FR
hop absolute
FL/FR
hop oil
FL/FR
ocimum basilicum herb oil
FL/FR
ocimum basilicum leaf oil CO2 extract
FL/FR
thyme absolute
FL/FR
juicy
lychee mercaptan acetate
FL/FR
lactonic
delta-
heptalactone
FL/FR
metallic
2,5-
dihydroxy-1,4-dithiane
FL
3-(
methyl thio) hexanol
FL/FR
mushroom
1-
octen-3-ol
FL/FR
oily
olive oil absolute
FL/FR
onion
methyl propyl disulfide
FL
methyl propyl trisulfide
FL
spicy
cinnamaldehyde dimethyl acetal
FL/FR
cumin seed absolute
FL/FR
black
currant bud absolute
FL/FR
sulfurous
dimethyl sulfide
FL/FR
ethyl methyl mercaptopropionate
FL/FR
ethyl methyl sulfide
FL
methyl benzyl disulfide
FL
potato butanone
FL
tomato
methional
FL/FR
vegetable
methyl 3-(methyl thio) propionate
FL/FR
waxy
octyl butyrate
FL/FR
woody
sabinene
FL/FR
 
Potential Uses:
FRbanana
FLbeer
FRcoffee
FRfruit
FRfungus mushroom
 
Occurrence (nature, food, other):note
 banana fruit
Search Trop Picture
 beer
Search PMC Picture
 origanum onites shoot
Search Trop Picture
 patchouli oil china @ 0.01%
Data GC Search Trop Picture
 pepper bell pepper fruit
Search Trop Picture
 pepper red pepper
Search PMC Picture
 
Synonyms:
 butyl vinyl carbinol
N-butyl vinyl carbinol
 hept-1-en-3-ol
(+/-)-1-hepten-3-ol
(±)-1-hepten-3-ol
 
 
Notes:
None found
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