Isopentyl 2-hydroxybenzoate

Modify Date: 2026-07-06 09:06:58

Isopentyl 2-hydroxybenzoate structure	Common Name	Isopentyl 2-hydroxybenzoate
	CAS Number	87-20-7	Molecular Weight	208.254
	Density	1.1±0.1 g/cm3	Boiling Point	276.0±0.0 °C at 760 mmHg
	Molecular Formula	C₁₂H₁₆O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	109.9±12.6 °C

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	Isopentyl 2-hydroxybenzoate
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.1±0.1 g/cm3
Boiling Point	276.0±0.0 °C at 760 mmHg
Molecular Formula	C₁₂H₁₆O₃
Molecular Weight	208.254
Flash Point	109.9±12.6 °C
Exact Mass	208.109940
PSA	46.53000
LogP	4.18
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.520
InChIKey	PMGCQNGBLMMXEW-UHFFFAOYSA-N
SMILES	CC(C)CCOC(=O)c1ccccc1O
Storage condition	2-8°C

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Isopentyl 2-hydroxybenzoate MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: VO4375000

CHEMICAL NAME :: Salicylic acid, isopentyl ester

CAS REGISTRY NUMBER :: 87-20-7

BEILSTEIN REFERENCE NO. :: 2580465

LAST UPDATED :: 199701

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C12-H16-O3

MOLECULAR WEIGHT :: 208.28

WISWESSER LINE NOTATION :: QR BVO2Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3300 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity)

REFERENCE :: TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (2),25,1994

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 2480 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity)

REFERENCE :: TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (2),25,1994 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 43 gm/kg/13W-C

TOXIC EFFECTS :: Behavioral - fluid intake Kidney, Ureter, Bladder - urine volume increased Kidney, Ureter, Bladder - changes in bladder weight

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,185,1975 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 12600 mg/kg

SEX/DURATION :: male 42 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - testes, epididymis, sperm duct

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,185,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1608 No. of Facilities: 186 (estimated) No. of Industries: 4 No. of Occupations: 20 No. of Employees: 5116 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M1608 No. of Facilities: 7395 (estimated) No. of Industries: 42 No. of Occupations: 48 No. of Employees: 73285 (estimated) No. of Female Employees: 34267 (estimated)

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes	N:Dangerousfortheenvironment;
Risk Phrases	R51/53
Safety Phrases	S61
RIDADR	UN 3082 9/PG 3
WGK Germany	2
RTECS	VO4375000
HS Code	2918230000

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

3-Methyl-1-butanol

CAS#:123-51-3

Salicylic acid

CAS#:69-72-7

Isopentyl 2-hyd...

CAS#:87-20-7

Learn More

Literature: Chem. Zentralbl., , vol. 72, # I p. 414

Methyl salicylate

CAS#:119-36-8

Isopentyl 2-hyd...

CAS#:87-20-7

Learn More

Literature: Justus Liebigs Annalen der Chemie, , vol. 92, p. 314

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 3
CAS#:123-51-3 3-Methyl-1-butanol CAS#:69-72-7 Salicylic acid CAS#:119-36-8 Methyl salicylate
DownStream 3
CAS#:20237-92-7 (6E)-6-oxazolid... CAS#:2052-14-4 n-Butyl salicylate CAS#:118-58-1 Benzyl salicylate

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code	2918230000
Summary	2918230000 other esters of salicylic acid and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

3-Methylbutyl salicylate

Isopentyl 2-hydroxybenzoate

MFCD00020037

Isopentyl salicylate

EINECS 201-730-4

Isoamyl salicylate

QR BVO2Y1&1

Benzoic acid, 2-hydroxy-, 3-methylbutyl ester

Isoamyl o-hydroxybenzoate

3-Methylbutyl 2-hydroxybenzoate

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the polar surface area (PSA) of Isopentyl 2-hydroxybenzoate?

A: Polar surface area (PSA) of Isopentyl 2-hydroxybenzoate is 46.53000.

Q: What are the storage conditions for Isopentyl 2-hydroxybenzoate?

A: Storage conditions for Isopentyl 2-hydroxybenzoate: 2-8°C.

Q: What is the CAS number of Isopentyl 2-hydroxybenzoate?

A: CAS number of Isopentyl 2-hydroxybenzoate is 87-20-7.

Q: What is the LogP of Isopentyl 2-hydroxybenzoate?

A: LogP of Isopentyl 2-hydroxybenzoate is 4.18.

Q: What is the molecular formula of Isopentyl 2-hydroxybenzoate?

A: Molecular formula of Isopentyl 2-hydroxybenzoate is C12H16O3.

Q: What is the safety information for Isopentyl 2-hydroxybenzoate?

A: Safety information for Isopentyl 2-hydroxybenzoate: S61.

Q: What are the upstream materials of Isopentyl 2-hydroxybenzoate?

A: Related upstream materials(CAS) of Isopentyl 2-hydroxybenzoate: 123-51-3;69-72-7;119-36-8.

Q: What is the InChIKey of Isopentyl 2-hydroxybenzoate?

A: InChIKey of Isopentyl 2-hydroxybenzoate is PMGCQNGBLMMXEW-UHFFFAOYSA-N.

Q: What English synonyms does Isopentyl 2-hydroxybenzoate have?

A: English synonyms of Isopentyl 2-hydroxybenzoate: 3-Methylbutyl salicylate, Isopentyl 2-hydroxybenzoate, MFCD00020037, Isopentyl salicylate, EINECS 201-730-4, Isoamyl salicylate, QR BVO2Y1&1, Benzoic acid, 2-hydroxy-, 3-methylbutyl ester, Isoamyl o-hydroxybenzoate, 3-Methylbutyl 2-hydroxybenzoate.

Q: What is the boiling point of Isopentyl 2-hydroxybenzoate?

A: Boiling point of Isopentyl 2-hydroxybenzoate is 276.0±0.0 °C at 760 mmHg.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Isopentyl 2-hydroxybenzoate
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Isoamyl salicylate
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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Isopentyl 2-hydroxybenzoate

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.