heptyl formate
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IUPAC name :heptyl formate
InChI :InChI=1/C8H16O2/c1-2-3-4-5-6-7-10-8-9/h8H,2-7H2,1H3
InChIKey :XEAMDSXSXYAICO-UHFFFAOYAL
SMILES :CCCCCCCOC=O
cas number :112-23-2
(EINECS) number :203-949-0
beilstein number :1750248
fema number :2552
coe number :341
jecfa number :121
fl. number :09.074
molar refractivity :41.04 ± 0.3 cm3
parachor :378.9 ± 4.0 cm3
index of refraction :1.413 ± 0.02
surface tension :28.3 ± 3.0 dyne/cm
density :0.877 ± 0.06 g/cm3
polarizability :16.27 ± 0.5 10-24cm3
XlogP : 3.10
molecular weight : 144.2114400 (IUPAC)
formula :C8 H16 O2
NMR Predictor :Predict
 
 
export tariff code :2915.13.0000
fda reg :172.515
Suppliers :
Grau Aromatics :HEPTYL-FORMATE
NI, Kosher
Inoue :HEPTYL FORMATE
Penta :heptyl formate
SAFC Global® :Heptyl formate
≥98%, Kosher
Odor:  apple; fatty; plum
Vigon :Heptyl Formate
Odor:  SOMEWHAT SHARP, FRUITY-FATTY, APPLE AND PLUM-LIKE
organoleptics :
odor type :green
odor strength :medium
odor description:
at 100.00 %.  		green waxy floral herbal plum apple cucumber
Luebke, William tgsc, (1988)
odor sample from :Fritzsche Dodge & Olcott, Inc.
odor description:
at 1.00 %.  		Green, waxy, floral, herbaceous, with a slight vegetative cucumber and unripe fruity nuance
Mosciano, Gerard P&F 26, No. 2, 40, (2001)
taste description:
at 5.00 - 10.00 ppm.  		Fatty, waxy, oily, slight floral with a vegetative nuance. It has a slight oenanthate under note
Mosciano, Gerard P&F 26, No. 2, 40, (2001)
substantivity :4  Hour(s)
properties :
appearence :colorless clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.87500 to 0.89100 @ 25.00 °C.
pounds per gallon - calc. : 7.281 to 7.414
refractive index :1.40700 to 1.43800 @ 20.00 °C.
boiling point : 177.00 to 178.00 °C. @ 760.00 mm Hg
boiling point : 76.00 to 77.00 °C. @ 25.00 mm Hg
flash point : 140.00  °F.  TCC  ( 60.00 °C. )
logP (o/w) : 2.96
safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and 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 36/39 - Wear suitable clothing and eye/face protection.
Human experience : 12 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.00 (μg/capita/day)
 
recommendation for heptyl formate fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for heptyl formate flavor usage levels up to :
  10.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 3272
 
WGK Germany :2
 
 
 
 
heptyl formate
(EINECS) number :203-949-0
RTECS :LQ8582000 for cas# 112-23-2
chemidplus :000112232
EPA Substance Registry Services :112-23-2
dtp/nci :7877
references :
 
heptyl formate
fl. number :09.074
jecfa number :121
NIST Chemistry WebBook :2783030223
pubchem :151297
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 formic acid heptyl ester
 heptanol formate
 heptyl alcohol formate
 heptyl methanoate
N-heptyl methanoate
Similar Products:    note
 allyl formate
 amyl formate
isoamyl formate
para-anisyl formate
 benzyl formate
 bornyl formate
isobornyl formate
 butyl formate
isobutyl formate
sec-butyl formate
 carvyl formate
 cedryl formate
 cinnamyl formate
 citronellyl formate
para-cresyl formate
 cyclododecyl formate
 cyclohexyl formate
2-decalinyl formate
 decyl formate
 dimethyl benzyl carbinyl formate
 ethyl formate
 eugenyl formate
isoeugenyl formate
 furfuryl formate
S-furfuryl thioformate
 geranyl formate
(E)-2-hexen-1-yl formate
(E)-3-hexen-1-yl formate
3-hexen-1-yl formate
(Z)-3-hexen-1-yl formate
 hexyl formate
 linalyl formate
 menthadienyl formate
 menthyl formate
laevo-menthyl formate
2-methyl butyl formate
 methyl formate
 myrtenyl formate
 neryl formate
 nonisyl formate
 nonyl formate
 nopyl formate
 octyl formate
3-octyl formate
 phenethyl formate
2-phenoxyethyl formate
3-phenyl propyl formate
 prenyl formate
 propyl formate
isopropyl formate
isopulegyl formate
 rhodinyl formate
 styralyl formate
 sulfuryl formate
 terpinyl formate
soluble in :
 alcohol
 ether
insoluble in :
 water
potential blenders :    note
 allyl cyclohexyl acetateFL/FR
isoamyl 3-(2-furan) propionateFL/FR
isoamyl benzoateFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 benzyl methyl etherFL/FR
isobutyl benzyl carbinolFL/FR
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
2-sec-butyl thiazoleFL/FR
4-butyl thiazoleFL
 chrysanthemum oxideFL/FR
 cinnamyl formateFL/FR
 citral dimethyl acetalFL/FR
 clary sage absoluteFL/FR
 cuminaldehydeFL/FR
 cuminyl acetaldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 cyclohexyl propionateFL/FR
 decanal propylene glycol acetalFL/FR
3-decanoneFL/FR
(E)-4-decen-1-alFL/FR
2-decen-1-alFL/FR
 dihydrorose oxideFR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl succinateFL/FR
6,8-dimethyl-2-nonanolFR
 earthy acetalFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl 2-benzyl butyrateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl 4-pentenoateFL/FR
2-ethyl octine carbonateFL
 farnesyl acetateFL/FR
 fig leaf absoluteFL
1-furfuryl pyrroleFL/FR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
 geranyl acetateFL/FR
 geranyl acetoneFL/FR
 grape butyrateFL/FR
 grapefruit pentanolFR
 heptanalFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
 herbal cyclohexaneFR
 herbal dioxaneFR
(E,E)-2,4-hexadien-1-ol 
(E)-4-hexen-1-olFL
(Z)-4-hexen-1-olFL/FR
3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl octanoateFL/FR
 hexyl phenyl acetateFL/FR
 hydroxycitronellalFL/FR
 hydroxycitronellal diethyl acetalFL/FR
 ivy carbaldehyde / methyl anthranilate schiff's baseFR
 ivy leaf absoluteFR
 jasmin cyclopentanolFR
 lily pentanalFR
 linalyl formateFL/FR
 marine hexaneFR
 melon nonenoateFL/FR
 methyl 2-undecynoateFL
2-methyl butyl 2-methyl butyrateFL/FR
 methyl butyl phenyl acetateFL/FR
 methyl citronellateFL/FR
 methyl cyclocitroneFR
2-methyl undecanal dimethyl acetalFR
(E)-6-methyl-3-hepten-2-oneFL/FR
4-methyl-4-phenyl pentanoneFR
 muguet undecadienalFR
 neryl butyrateFL/FR
(E,E)-2,6-nonadien-1-alFL/FR
2,4-nonadien-1-alFL
(E,Z)-2,6-nonadien-1-al diethyl acetalFL/FR
(E,Z)-2,6-nonadien-1-olFL/FR
(E,Z)-3,6-nonadien-1-olFL/FR
(Z,Z)-3,6-nonadien-1-olFL/FR
2,6-nonadien-1-olFL/FR
3-nonanon-1-yl acetateFL/FR
2,4,6-nonatrien-1-alFL
(E)-2-nonen-1-alFL/FR
 nonisyl formateFR
 ocean propanal / methyl anthranilate schiff's baseFR
(E)-2-octen-1-alFL/FR
3-octen-1-yl acetateFL/FR
 octyl oxyacetaldehydeFR
 peach pivalateFR
2-pentyl cyclopentanoneFR
 perillaldehydeFL/FR
 phenethyl hexanoateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
 phenyl acetaldehyde ethylene glycol acetalFR
2-propyl thiazoleFL
isopulegolFL/FR
 rose pyranFR
 seaweed absoluteFL/FR
 styralyl formateFL/FR
 tagete flower oil rwandaFL/FR
 tagete oilFL/FR
 tagete oil CO2 extractFL/FR
 terpinyl isobutyrateFL/FR
alpha-thujene 
 timber dioxolaneFR
 tropical indeneFR
10-undecen-1-olFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
 viridiflorolFL/FR
 waxy aldehydeFR
potential uses :
 apple
 apricot
 coconut
 cream
 cucumber
 grape
 kumquat
 melon
 orris iris
 peach
 plum
 rose
 wine
natural occurrence in :    note
 kumquat  
data pageosmanthus absolute @ 0.01% S

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