Heptyl p-hydroxybenzoate 97%

CAT: 0286-H02030-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0286-H02030-01Size:25 g

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CAS Number

1085-12-7

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00016481

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.

DOT Name

Not D.O.T.-Regulated

Precautions

P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Heptyl p-hydroxybenzoate

Heptyl p-hydroxybenzoate is a benzoate ester.

CAS Number	1085-12-7
PubChem CID	14138
IUPAC Name	heptyl 4-hydroxybenzoate
Molecular Formula	C14H20O3
Molecular Weight	236.31
XLogP	4.8
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	17
Formal Charge	0
Complexity	208

SMILES

CCCCCCCOC(=O)C1=CC=C(C=C1)O

InChI

InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3

InChIKey

ZTJORNVITHUQJA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1085-12-7

CID: 14138

Formula: C14H20O3

MW: 236.31

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	236.31
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	236.14124450
Monoisotopic Mass	236.14124450
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	208
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
OR1079299-01	Heptyl 4-Hydroxybenzoate
T211627-01	N-Heptyl 4-hydroxybenzoate
HY-W150903S-01	N-Heptyl 4-hydroxybenzoate-d4
RG-H043000-01	Heptyl P-Toluenesulfonate
OR1043829-01	P-Bromophenyl Heptyl Ketone
T34052-01	Phthalimide, N- (7- (p-aminophenoxy) heptyl) -
MBS5783576	Phthalimide, N-(7-(p-aminophenoxy)heptyl)-
15424-55	Ethyl p-Hydroxybenzoate
22619-82	Methyl p-Hydroxybenzoate
06327-02	Butyl p-Hydroxybenzoate

Heptyl p-hydroxybenzoate 97%

Chemical Information

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