1-hepten-3-ol 4938-52-7

1-hepten-3-ol

Suppliers organoleptics properties safety references FEMA Index Home Page

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IUPAC name :

hept-1-en-3-ol

InChI :

InChI=1/C7H14O/c1-3-5-6-7(8)4-2/h4,7-8H,2-3,5-6H2,1H3

InChIKey :

PZKFYTOLVRCMOA-UHFFFAOYAW

SMILES :

CCCCC(C=C)O

cas number :	4938-52-7
(EINECS) number :	225-579-9
beilstein number :	1720340
fema number :	4129
coe number :	10218
jecfa number :	1842
fl. number :	02.155
molar refractivity :	35.69 ± 0.3 cm3
parachor :	313.7 ± 4.0 cm3
index of refraction :	1.434 ± 0.02
surface tension :	27.4 ± 3.0 dyne/cm
density :	0.833 ± 0.06 g/cm3
polarizability :	14.15 ± 0.5 10-24cm3
XlogP :	2.10
molecular weight :	114.1854600
formula :	C7 H14 O
BioActivity Analysis :	399388
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Frutarom :

1-HEPTEN-3-OL
≥98.00%, NI, Kosher
Odor: Earthy, Fruity, Green, Mushroom

Sigma-Aldrich-SAFC :

1-Hepten-3-ol
≥97%

organoleptics :

odor type :

green

odor strength :

high ,
recommend smelling in a 1.00 % solution or less

odor description :¹
at 1.00 % in dipropylene glycol.

oily green metallic acrylate tomato spicy

odor sample from :

Sigma-Aldrich Inc.

taste description² :

at 1.00 ppm in water.
sweet green plastic metallic weedy

substantivity :

< 1 hour(s) at 1.00 % in propylene glycol

properties :

appearence :

colorless to pale yellow clear liquid

assay :

97.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.83200 to 0.83800 @ 20.00 °C.

pounds per gallon - calc. :

6.931 to 6.981

refractive index :

1.43000 to 1.43500 @ 20.00 °C.

boiling point :

153.00 to 155.00 °C. @ 760.00 mm Hg

vapor density :

3.9 ( Air = 1 )

flash point :

129.00 °F. TCC ( 53.89 °C. )

logP (o/w) :

2.11

safety :

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.

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for 1-hepten-3-ol usage levels up to :

0.1000 % in the fragrance concentrate.

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 on the "LIBRARY" link.

publication number : 22

average usual ppm

average maximum ppm

baked goods :

beverages(nonalcoholic) :

beverages(alcoholic) :

breakfast cereal :

cheese :

chewing gum :

condiments / relishes :

confectionery froastings :

egg products :

fats / oils :

fish products :

0.05000

0.10000

frozen dairy :

fruit ices :

gelatins / puddings :

granulated sugar :

gravies :

0.10000

0.20000

hard candy :

imitation dairy :

instant coffee / tea :

jams / jellies :

meat products :

0.10000

0.20000

milk products :

nut products :

other grains :

poultry :

0.05000

0.10000

processed fruits :

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

0.50000

0.80000

snack foods :

0.05000

0.10000

soft candy :

soups :

0.05000

0.10000

sugar substitutes :

sweet sauces :

safety references :

EPI System :

view

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WISER :

UN 1987

WGK Germany :

hept-1-en-3-ol

(EINECS) number :

225-579-9

chemidplus :

004938527

EPA Substance Registry Services :

4938-52-7

dtp/nci :

93797

references :

hept-1-en-3-ol

fl. number :

02.155

jecfa number :

1842

NIST Chemistry WebBook :

1354262235

pubchem :

163833

other :

reference :

Luebke, William tgsc, (2006)¹

reference :

Luebke, William tgsc, (2006)²

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
	butyl vinyl carbinol
	hept-1-en-3-ol
(±)-1-	hepten-3-ol
soluble in :
	alcohol
	propylene glycol
insoluble in :
	water
(odor and/or flavor) blends with :
	basil oil
	basil oil CO2 sweet
iso	butyl angelate
2-iso	butyl thiazole
	carrot leaf oil
	carrot seed oil
	carrot weed oil
	cassis pentanone
	cinnamaldehyde dimethyl acetal
	cumin seed absolute
	currant bud absolute black
2,5-	dihydroxy-1,4-dithiane
	dill weed oil
	dimethyl sulfide
	epoxy-2-decenal
	ethyl 3-hexenoate
	ethyl methacrylate
	ethyl methyl mercaptopropionate
	ethyl methyl sulfide
	fennel seed oil
	fresh carbaldehyde
	geranium oil
	geranium thiazole
	green ether
(E,E)-2,4-	hexadien-1-al
3-	hexen-1-al
(E)-4-	hexen-1-ol
(Z)-4-	hexen-1-ol
(Z)-3-	hexen-1-yl octanoate
(Z)-3-	hexen-1-yl salicylate
	hop absolute
	hop oil
	hyacinth ether
	lychee mercaptan acetate
	methional
	methyl 3-(methyl thio) propionate
	methyl benzyl disulfide
S-	methyl methioninium chloride
	methyl propyl disulfide
	methyl propyl trisulfide
bis(	methyl thio) methane
	methyl thiol isovalerate
(E)-2-	penten-1-al
4-	penten-1-yl acetate
2-	phenyl propyl alcohol
	phenyl propyl phenyl acetate
	potato butanone
4-iso	propyl quinoline
iso	propyl quinoline
	thyme absolute
(odor and/or flavor) used in :
	banana
	beer
	coffee
	fruit
	mushroom
natural occurrence in :
	banana
	beer
data page	patchouli oil china @ 0.01%
	pepper green pepper
	pepper red pepper

information only - not sold by The Good Scents Company.

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