heptyl phenyl acetate

information only not used for fragrances or flavors

2D:
3D:
CAS Number:	39736-25-9
ECHA EC Number:	254-609-3
FDA UNII:	F43QT54KTR
Category:	information only not used for fragrances or flavors
IUPAC Name:	heptyl phenyl acetate
InChI :	InChI=1/C15H22O2/c1-2-3-4-5-9-12-17-15(16)13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3
Std.InChI:	InChI=1S/C15H22O2/c1-2-3-4-5-9-12-17-15(16)13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3
InChIKey :	MFCMCQJYPOAXCB-UHFFFAOYAE
Std.InChIKey:	MFCMCQJYPOAXCB-UHFFFAOYSA-N
SMILES :	CCCCCCCOC(=O)CC1=CC=CC=C1
Molar Refractivity :	70.00 ± 0.3 cm3 (est)
Parachor :	587.0 ± 4.0 cm3 (est)
Index of Refraction :	1.492 ± 0.02 (est)
Surface Tension :	35.0 ± 3.0 dyne/cm (est)
Density :	0.971 ± 0.06 g/cm3 (est)
Polarizability :	27.75 ± 0.5 10-24cm3 (est)

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Appearance:	colorless to pale yellow clear liquid (est)
Assay:	96.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	1.01500 @ 25.00 °C.
Boiling Point:	265.00 °C. @ 760.00 mm Hg
Vapor Pressure:	0.000462 mmHg @ 25.00 °C. (est)
Flash Point:	229.00 °F. TCC ( 109.44 °C. )
logP (o/w):	4.968 (est)
Soluble in:
	alcohol
	water, 1.467 mg/L @ 25 °C (est)
Insoluble in:
	water
Similar Items:note
allyl phenyl acetate
amyl phenyl acetate
isoamyl phenyl acetate
para-anisyl phenyl acetate
benzyl phenyl acetate
isobornyl phenyl acetate
butyl phenyl acetate
isobutyl phenyl acetate
cinnamyl phenyl acetate
citronellyl phenyl acetate
meta-cresyl phenyl acetate
para-cresyl phenyl acetate
cyclohexyl phenyl acetate
dimethyl octanyl phenyl acetate
ethyl phenyl acetate
eugenyl phenyl acetate
isoeugenyl phenyl acetate
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geranyl phenyl acetate
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(E)-2-hexen-1-yl phenyl acetate
(Z)-3-hexen-1-yl phenyl acetate
hexyl phenyl acetate
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menthyl phenyl acetate
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methyl butyl phenyl acetate
methyl phenyl acetate
neryl phenyl acetate
nonyl phenyl acetate
octyl phenyl acetate
phenethyl phenyl acetate
phenyl propyl phenyl acetate
propyl 4-tert-butyl phenyl acetate
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lemongrass sweet verbena foliage honey

None found


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

Category:
information only not used for fragrances or flavors
Recommendation for heptyl phenyl acetate usage levels up to:
	4.0000 % in the fragrance concentrate.

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EPA Substance Registry Services (TSCA):39736-25-9

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :101315

National Institute of Allergy and Infectious Diseases:Data

heptyl 2-phenylacetate

Chemidplus:0039736259

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
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(IUPAC):	Periodic Table of the Elements
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Export Tariff Code:	2916.35.1500
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