HuagongsheHuagongshe Chemistry Print Report · For research reference only

HCID 90607Generated: November 4, 2026

3-Phenylpropyl salicylate

Brn 2120148 · Einecs 246-458-7 · 3-phenylpropyl salicylate · Propanol, 3-phenyl-, salicylate · 3-Phenylpropyl=2-hydroxybenzoate · Salicylic acid 3-phenylpropyl ester · Benzoic acid, 2-hydroxy-, 3-phenylpropyl ester

https://huagongshe.com/en/chemical/90607

3-Phenylpropyl salicylate molecular structure

Identifiers & Physical Properties

CAS No.	24781-13-3
Molecular formula	C16H16O3
Average molar mass	256.3 g/mol
Monoisotopic mass	256.10994437 g/mol
SMILES	O=C(OCCCc1ccccc1)c1ccccc1O
InChIKey	GMHNYYKDPGWAJR-UHFFFAOYSA-N
PubChem CID	90607
EC No.	246-458-7
DTXSID	DTXSID3067021

Chemical & Physical Properties

XLogP	5.2
Topological polar surface area	46.5
Hydrogen bond donors	1
Hydrogen bond acceptors	3
Rotatable bonds	6
Heavy atoms	19
Formal charge	0
Complexity	271
Boiling point	359.54°C (rough estimate)
Density	1.1320 (rough estimate)
Refractive index	1.5400 (estimate)
Physical state	solid
InChI	1S/C16H16O3/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,17H,6,9,12H2
InChIKey	GMHNYYKDPGWAJR-UHFFFAOYSA-N
SMILES	O=C(OCCCC1=CC=CC=C1)C(C=CC=C2)=C2O
LogP (partition coefficient)	4.840
FDA UNII	3BE83JUF0V
EPA Substance Registry System	Benzoic acid, 2-hydroxy-, 3-phenylpropyl ester (24781-13-3)
UNSPSC Code	12352200
NACRES	NA.21
GHS hazard statements	H413
Water hazard class (WGK)	WGK 3
TSCA inventory status	TSCA listed
Storage class	11 - Combustible Solids
Hazard class	Aquatic Chronic 4

Safety & Regulations

GHS classification	H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Regulatory information	Chemical: Benzoic acid, 2-hydroxy-, 3-phenylpropyl esterBenzoic acid, 2-hydroxy-, 3-phenylpropyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other safety information	Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and Categories	Aquatic Chronic 4 (100%)
Water hazard class (WGK)	WGK 3
TSCA inventory status	TSCA listed
Storage class	11 - Combustible Solids
GHS hazard statements	H413
Hazard class	Aquatic Chronic 4

CAS No.

24781-13-3

Molecular formula

C16H16O3

Average molar mass

256.3 g/mol

Monoisotopic mass

256.10994437 g/mol

SMILES

O=C(OCCCc1ccccc1)c1ccccc1O

InChIKey

GMHNYYKDPGWAJR-UHFFFAOYSA-N

PubChem CID

90607

EC No.

246-458-7

DTXSID

DTXSID3067021

Chemical & Physical Properties

XLogP

5.2

Topological polar surface area

46.5

Hydrogen bond donors

Hydrogen bond acceptors

Rotatable bonds

Heavy atoms

Formal charge

Complexity

271

Boiling point

359.54°C (rough estimate)

Density

1.1320 (rough estimate)

Refractive index

1.5400 (estimate)

Physical state

solid

InChI

1S/C16H16O3/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,17H,6,9,12H2

InChIKey

GMHNYYKDPGWAJR-UHFFFAOYSA-N

SMILES

O=C(OCCCC1=CC=CC=C1)C(C=CC=C2)=C2O

LogP (partition coefficient)

4.840

FDA UNII

3BE83JUF0V

EPA Substance Registry System

Benzoic acid, 2-hydroxy-, 3-phenylpropyl ester (24781-13-3)

UNSPSC Code

12352200

NACRES

NA.21

GHS hazard statements

H413

Water hazard class (WGK)

WGK 3

TSCA inventory status

TSCA listed

Storage class

11 - Combustible Solids

Hazard class

Aquatic Chronic 4

Safety & Regulations

GHS classification

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Regulatory information

Chemical: Benzoic acid, 2-hydroxy-, 3-phenylpropyl esterBenzoic acid, 2-hydroxy-, 3-phenylpropyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other safety information

Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and Categories

Aquatic Chronic 4 (100%)