CAS 105-99-7|Dibutyl adipate

Introduction：Basic information about CAS 105-99-7|Dibutyl adipate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles3
7. Synonyms

Common Name	Dibutyl adipate
CAS Number	105-99-7	Molecular Weight	258.354
Density	1.0±0.1 g/cm3	Boiling Point	300.9±10.0 °C at 760 mmHg
Molecular Formula	C₁₄H₂₆O₄	Melting Point	-32 °C
MSDS	ChineseUSA	Flash Point	135.0±17.4 °C

Names

Name	Dibutyl Adipate
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.0±0.1 g/cm3
Boiling Point	300.9±10.0 °C at 760 mmHg
Melting Point	-32 °C
Molecular Formula	C₁₄H₂₆O₄
Molecular Weight	258.354
Flash Point	135.0±17.4 °C
Exact Mass	258.183105
PSA	52.60000
LogP	4.22
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.441
InChIKey	XTJFFFGAUHQWII-UHFFFAOYSA-N
SMILES	CCCCOC(=O)CCCCC(=O)OCCCC

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AV0900000

CHEMICAL NAME :: Adipic acid, dibutyl ester

CAS REGISTRY NUMBER :: 105-99-7

BEILSTEIN REFERENCE NO. :: 1790739

LAST UPDATED :: 199806

DATA ITEMS CITED :: 12

MOLECULAR FORMULA :: C14-H26-O4

MOLECULAR WEIGHT :: 258.40

WISWESSER LINE NOTATION :: 4OV4VO4

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 :: 12900 mg/kg

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

REFERENCE :: 28ZEAL "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969 Volume(issue)/page/year: 5,72,1976

TYPE OF TEST :: LC - Lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >17 mg/m3/4H

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

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 55(6),86,1990

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5244 uL/kg

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

REFERENCE :: JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 62,1596,1973

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 16890 mg/kg

TOXIC EFFECTS :: Blood - other changes

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 55(6),86,1990

TYPE OF TEST :: LC - Lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >17 mg/m3/2H

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

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 55(6),86,1990

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 20 mL/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: 4,119,1951 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 30 mL/kg/6W-I

TOXIC EFFECTS :: Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 15,295,1996 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 1049 mg/kg

SEX/DURATION :: female 5-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

REFERENCE :: JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 62,1596,1973

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 1748 mg/kg

SEX/DURATION :: female 5-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - other developmental abnormalities

REFERENCE :: JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 62,1596,1973 *** REVIEWS *** TOXICOLOGY REVIEW JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 15,295,1996 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 5 mg/m3;Skin JAN 1993

Safety Information

Personal Protective Equipment	Eyeshields;Gloves
Hazard Codes	Xi
Risk Phrases	R36/37/38
Safety Phrases	S26-S36/37/39
RIDADR	NONH for all modes of transport
WGK Germany	1
RTECS	AV0900000
HS Code	2917120090

Customs

HS Code	2917120090
Summary	2917120090. adipic acid and its salts. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

Articles3

Analysis of phthalates in milk and milk products by liquid chromatography coupled to quadrupole Orbitrap high-resolution mass spectrometry.

J. Chromatogr. A. 1362 , 110-8, (2014)

A new analytical method was developed and validated for simultaneous analysis of 27 phthalates in milk and milk products. Response surface methodology was employed to optimize a quick, easy, cheap, ef...

The lateral spread of clobetasol 17-propionate in the stratum corneum in vivo.

Br. J. Dermatol. 119(3) , 351-8, (1988)

Radiolabelled clobetasol 17-propionate in two different bases, propylene glycol (PG) and di-n-butyl adipate (BA), was applied to the backs of 10 normal male volunteers, and the application sites prote...

Percutaneous absorption of clobetasol propionate from novel ointment and cream formulations.

Clin. Exp. Dermatol. 10(1) , 13-21, (1985)

Synonyms

Hexanedioic acid, dibutyl ester

Dibutyl adipate

EINECS 203-350-4

di-n-butyl adipate

Adipic Acid Dibutyl Ester

MFCD00009451

dibutyl hexanedioate

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