CAS 94-13-3|Propyl paraben

Introduction：Basic information about CAS 94-13-3|Propyl paraben, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Propyl paraben BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles53
8. Synonyms

Common Name	Propyl paraben
CAS Number	94-13-3	Molecular Weight	180.201
Density	1.1±0.1 g/cm3	Boiling Point	294.3±13.0 °C at 760 mmHg
Molecular Formula	C₁₀H₁₂O₃	Melting Point	95-98 °C(lit.)
MSDS	ChineseUSA	Flash Point	124.6±12.6 °C

Names

Name	propylparaben
Synonym	More Synonyms

Propyl paraben BiologicalActivity

Description	Propylparaben is an antimicrobial agent, preservative, flavouring agent.
Related Catalog	Signaling Pathways >>Anti-infection >>BacterialNatural Products >>OthersResearch Areas >>Infection
Target	Human Endogenous Metabolite

Chemical & Physical Properties

Density	1.1±0.1 g/cm3
Boiling Point	294.3±13.0 °C at 760 mmHg
Melting Point	95-98 °C(lit.)
Molecular Formula	C₁₀H₁₂O₃
Molecular Weight	180.201
Flash Point	124.6±12.6 °C
Exact Mass	180.078644
PSA	46.53000
LogP	2.93
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.532
InChIKey	QELSKZZBTMNZEB-UHFFFAOYSA-N
SMILES	CCCOC(=O)c1ccc(O)cc1
Stability	Stable. Incompatible with strong oxidizing agents, strong bases.
Water Solubility	<0.1 g/100 mL at 12 ºC

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DH2800000

CHEMICAL NAME :: Benzoic acid, p-hydroxy-, propyl ester

CAS REGISTRY NUMBER :: 94-13-3

BEILSTEIN REFERENCE NO. :: 1103245

LAST UPDATED :: 199701

DATA ITEMS CITED :: 10

MOLECULAR FORMULA :: C10-H12-O3

MOLECULAR WEIGHT :: 180.22

WISWESSER LINE NOTATION :: QR DVO3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 6332 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NEZAAQ Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. (Nippon Eisei Gakkai, c/o Kyoto Daigaku Igakubu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.1- 1946- Volume(issue)/page/year: 28,463,1973

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1650 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 128,135,1960

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 6 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 146,208,1929 *** REVIEWS *** TOXICOLOGY REVIEW ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 4,575,1954 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80496 No. of Facilities: 2827 (estimated) No. of Industries: 21 No. of Occupations: 36 No. of Employees: 48242 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80496 No. of Facilities: 13566 (estimated) No. of Industries: 86 No. of Occupations: 117 No. of Employees: 526606 (estimated) No. of Female Employees: 355310 (estimated)

Safety Information

Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xi: Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S26-S24/25
RIDADR	NONH for all modes of transport
WGK Germany	1
RTECS	DH2800000
HS Code	2918290000

Customs

HS Code	2918290000
Summary	HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

Articles53

Development and validation of a stability-indicating LC-UV method for the determination of pantethine and its degradation product based on a forced degradation study.

J. Pharm. Biomed. Anal. 97 , 141-50, (2014)

Pantethine (d-bis-(N-pantothenyl-β-aminoethyl)-disulfide, PAN), the stable disulfide form of pantetheine, has beneficial effects in vascular diseases being able to decrease the hyperlipidaemia, modera...

Development and application of a validated stability-indicating high-performance liquid chromatographic method using photodiode array detection for simultaneous determination of granisetron, methylparaben, propylparaben, sodium benzoate, and their main degradation products in oral pharmaceutical preparations.

J. AOAC Int. 94(5) , 1447-60, (2011)

A simple, rapid, and sensitive RP-HPLC method using photodiode array detection was developed and validated for the simultaneous determination of granisetron hydrochloride, 1-methyl-1H-indazole-3-carbo...

The EpiOcular Eye Irritation Test (EIT) for hazard identification and labelling of eye irritating chemicals: protocol optimisation for solid materials and the results after extended shipment.

Altern. Lab. Anim. 43 , 101-27, (2015)

The 7th Amendment to the EU Cosmetics Directive and the EU REACH Regulation have reinforced the need for in vitro ocular test methods. Validated in vitro ocular toxicity tests that can predict the hum...

Synonyms

Propyl parahydroxybenzoate

Propyl-4-hydroxybenzoate

Mekkings P

4-hydroxybenzoic acid propyl ester

nipaginp

PROPYL PARASEPT

Nipasol M

Benzoic acid, p-hydroxy-, propyl ester

N-Propyl-p-hydroxybenzoate

Propyl chemosept

nipasolp

n-Propyl p-hydroxybenzoate

n-propyl 4-hydroxybenzoate

n-Propylparaben

Paseptol

Nipazol

4-Hydroxybenzoic acid, n-propyl ester

EINECS 202-307-7

propyl paraben

Solbrol P

p-Hydroxybenzoic acid n-propyl ester

Propagin

4-Hydroxybenzoic acid n-propyl ester

propyl p-hydroxybenzoate

Benzoic acid, 4-hydroxy-, propyl ester

p-Hydroxybenzoic acid, propyl ester

p-hydroxybenzoic acid propyl ester

Nipasol

Parabens

Propylparaben

n-Propyl-4-hydroxy-benzoate

solbrolp

Propyl 4-hydroxybenzoate

NipasolM

betacidep

MFCD00002354

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