CAS 115-76-4|Prenderol

Introduction：Basic information about CAS 115-76-4|Prenderol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

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

Common Name	Prenderol
CAS Number	115-76-4	Molecular Weight	132.20100
Density	0.95g/mLat 25°C (lit.)	Boiling Point	160 °C (50 mmHg)
Molecular Formula	C₇H₁₆O₂	Melting Point	59-61 °C(lit.)
MSDS	USA	Flash Point	102 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	2,2-Diethyl-1,3-propanediol
Synonym	More Synonyms

Prenderol BiologicalActivity

Description	Prenderol is a potent central-nervous-system depressant. Prenderol has anticonvulsant activity[1].
Related Catalog	Signaling Pathways >>Others >>OthersResearch Areas >>Neurological Disease
References	[1]. Slater, I. H., et al. 2,2-Diethyl-1,4-butanediol, a convulsant homolog of the depressant, 2,2-diethyl-1,3-propanediol.

Chemical & Physical Properties

Density	0.95g/mLat 25°C (lit.)
Boiling Point	160 °C (50 mmHg)
Melting Point	59-61 °C(lit.)
Molecular Formula	C₇H₁₆O₂
Molecular Weight	132.20100
Flash Point	102 °C
Exact Mass	132.11500
PSA	40.46000
LogP	0.77740
Vapour Pressure	0.00657mmHg at 25°C
Index of Refraction	1.451
InChIKey	XRVCFZPJAHWYTB-UHFFFAOYSA-N
SMILES	CCC(CC)(CO)CO

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TY5250000

CHEMICAL NAME :: 1,3-Propanediol, 2,2-diethyl-

CAS REGISTRY NUMBER :: 115-76-4

BEILSTEIN REFERENCE NO. :: 1697711

LAST UPDATED :: 199806

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C7-H16-O2

MOLECULAR WEIGHT :: 132.23

WISWESSER LINE NOTATION :: Q1X2&2&1Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 2/21/1958 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 850 mg/kg

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

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 2/21/1958

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 700 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - excitement Nutritional and Gross Metabolic - body temperature decrease

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 100,27,1950

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 635 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - excitement Nutritional and Gross Metabolic - body temperature decrease

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 100,27,1950

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1550 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - excitement Nutritional and Gross Metabolic - body temperature decrease

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 100,27,1950

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1220 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - excitement Nutritional and Gross Metabolic - body temperature decrease

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 100,27,1950

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1170 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - excitement Nutritional and Gross Metabolic - body temperature decrease

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 100,27,1950

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 4240 uL/kg

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

REFERENCE :: AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H302-H319
Precautionary Statements	P301 + P312 + P330-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xn:Harmful;
Risk Phrases	R22;R36
Safety Phrases	S26
RIDADR	NONH for all modes of transport
WGK Germany	2
RTECS	TY5250000
HS Code	2905399090

Customs

HS Code	2905399090
Summary	2905399090 other diols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%

Synonyms

2,2-DIETHYL-1,3-PROPANEDIOL

2,2-diethylpropane-1,3-diol

2,2-Dihydroxy-2,2-diethylpropane

3,3-Bis(hydroxymethyl)pentane

EINECS 204-103-3

2,2-Diethyl-2,2-dihydroxypropane

MFCD00004695

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