(E)-2-hepten-1-ol

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IUPAC name :

(E)-hept-2-en-1-ol

InChI :

InChI=1/C7H14O/c1-2-3-4-5-6-7-8/h5-6,8H,2-4,7H2,1H3/b6-5+

InChIKey :

ASFYPVGAALGVNR-AATRIKPKBG

SMILES :

CCCC\C=C\CO

cas number :	33467-76-4
% from :	95.00% to 99.90%
(EINECS) number :	251-534-8
beilstein number :	1720091
coe number :	11773
fl. number :	02.151
molar refractivity :	36.07 ± 0.3 cm3
parachor :	314.5 ± 4.0 cm3
index of refraction :	1.446 ± 0.02
surface tension :	29.3 ± 3.0 dyne/cm
density :	0.844 ± 0.06 g/cm3
polarizability :	14.29 ± 0.5 10-24cm3
XlogP :	2.20
molecular weight :	114.1854600
formula :	C7 H14 O
BioActivity Analysis :	135970

IUPAC name :

(Z)-hept-2-en-1-ol

InChI :

InChI=1/C7H14O/c1-2-3-4-5-6-7-8/h5-6,8H,2-4,7H2,1H3/b6-5-

InChIKey :

ASFYPVGAALGVNR-WAYWQWQTBU

SMILES :

CCCC\C=C/CO

cas number :	33467-76-4 (Z)
% from :	0.10% to 5.00%
molar refractivity :	36.07 ± 0.3 cm3
parachor :	314.5 ± 4.0 cm3
index of refraction :	1.446 ± 0.02
surface tension :	29.3 ± 3.0 dyne/cm
density :	0.844 ± 0.06 g/cm3
polarizability :	14.29 ± 0.5 10-24cm3
XlogP :	2.20
molecular weight :	114.1854600
formula :	C7 H14 O

IUPAC name :

hept-2-en-1-ol

InChI :

InChI=1/C7H14O/c1-2-3-4-5-6-7-8/h5-6,8H,2-4,7H2,1H3

InChIKey :

ASFYPVGAALGVNR-UHFFFAOYAM

SMILES :

CCCCC=CCO

cas number :	22104-77-4
molar refractivity :	36.07 ± 0.3 cm3
parachor :	314.5 ± 4.0 cm3
index of refraction :	1.446 ± 0.02
surface tension :	29.3 ± 3.0 dyne/cm
density :	0.844 ± 0.06 g/cm3
polarizability :	14.29 ± 0.5 10-24cm3
XlogP :	2.20
molecular weight :	114.1854600
formula :	C7 H14 O

export tariff code :

2905.29.9000

fda reg :

unspecified

organoleptics :

odor type :

fatty

odor strength :

high ,
recommend smelling in a 1.00 % solution or less

odor description :
at 1.00 % in dipropylene glycol.

pungent fatty plastic green

properties :

appearence :

colorless clear liquid

assay :

97.00 to 100.00 % sum of isomers

Food Chemicals Codex Listed :

specific gravity :

0.83900 to 0.84500 @ 25.00 °C.

pounds per gallon - calc. :

6.981 to 7.031

refractive index :

1.43700 to 1.44400 @ 20.00 °C.

boiling point :

83.00 °C. @ 20.00 mm Hg

boiling point :

60.00 °C. @ 4.00 mm Hg

vapor pressure :

0.27200 mm/Hg @ 25.00 °C.

vapor density :

>1 ( Air = 1 )

flash point :

135.00 °F. TCC ( 57.22 °C. )

logP (o/w) :

2.10

safety :

most important hazard(s) :

Xi - Irritant

R 36 - Irritating to eyes.
S 02 - Keep out of the reach of children.
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.

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for (E)-2-hepten-1-ol usage levels up to :

0.5000 % in the fragrance concentrate.

safety references :

EPI System :

view

EPA Chem. Sub. Inventory :

Yes

WISER :

UN 1987

WGK Germany :

(E)-hept-2-en-1-ol

(EINECS) number :

251-534-8

chemidplus :

033467764

EPA Substance Registry Services :

33467-76-4

dtp/nci :

244909

(Z)-hept-2-en-1-ol

hept-2-en-1-ol

chemidplus :

22104-77-4

EPA Substance Registry Services :

22104-77-4

references :

(E)-hept-2-en-1-ol

fl. number :

02.151

NIST Chemistry WebBook :

2240033699

pubchem :

177996

(Z)-hept-2-en-1-ol

hept-2-en-1-ol

NIST Chemistry WebBook :

310505335

pubchem :

34677945

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
(E)-	hept-2-en-1-ol
trans-	hept-2-en-1-ol
trans-2-	hepten-1-ol
(E)-2-	heptenol
trans-2-	heptenol
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
	bark carbaldehyde
	coriander heptenol
	cyclohexyl ethyl acetate
2,4-	decadien-1-al
	decanal diethyl acetal
3-	decen-2-one
9-	decenoic acid
	dibenzyl ether
	dibenzyl ketone
	dihexyl fumarate
	dimethyl octanol
	diphenyl methane
	dodecanal
	ethyl acrylate
	ethyl hexanoate
	fresh carbaldehyde
1-	furfuryl pyrrole
(E,E)-2,4-	heptadien-1-al
delta-	heptalactone
(Z)-4-	hepten-1-al
1-	hepten-3-ol
	heptyl octanoate
	hexanal butane-2,3-diol acetal
	hexanal octane-1,3-diol acetal
	hexyl 2-furoate
	hydroxycitronellal dimethyl acetal
	methyl 2-hexenoate
	methyl 2-methyl butyrate
	methyl epi-jasmonate
(E)-	methyl geranate
2-	methyl heptanoic acid
	methyl jasmonate
	methyl octanoate
4-	methyl octanoic acid
(E)-6-	methyl-3-hepten-2-one
	myrcene
2,4-	nonadien-1-al
(E,Z)-3,6-	nonadien-1-ol
2,4-	nonadien-1-ol
(E,Z)-3,6-	nonadien-1-yl acetate
3,6-	nonadien-1-yl acetate
	nonanal dimethyl acetal
2-	nonanol
(E)-2-	nonen-1-al
(E)-2-	nonen-1-ol
(Z)-3-	nonen-1-ol
(Z)-6-	nonen-1-ol
	octanol
(E)-2-	octen-1-al
2-	octen-1-al
	octyl isobutyrate
(Z)-2-	penten-1-ol
4-	penten-1-yl acetate
	phenethyl isopropyl ether
	phenethyl octanoate
1-	phenyl-1,2-propane dione
	privet dioxane
	syringaldehyde
(E)-2-	tetradecen-1-al
(odor and/or flavor) used in :
	aldehydic
	chypre
	fat
	floral
natural occurrence in :
	found in nature

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