CAS 828-51-3|Adamantane-1-carboxylic acid

Introduction：Basic information about CAS 828-51-3|Adamantane-1-carboxylic acid, 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. Articles21
7. Synonyms

Common Name	Adamantane-1-carboxylic acid
CAS Number	828-51-3	Molecular Weight	180.243
Density	1.2±0.1 g/cm3	Boiling Point	304.7±10.0 °C at 760 mmHg
Molecular Formula	C₁₁H₁₆O₂	Melting Point	172-174 °C(lit.)
MSDS	ChineseUSA	Flash Point	142.0±13.7 °C

Names

Name	1-Adamantanecarboxylic acid
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.2±0.1 g/cm3
Boiling Point	304.7±10.0 °C at 760 mmHg
Melting Point	172-174 °C(lit.)
Molecular Formula	C₁₁H₁₆O₂
Molecular Weight	180.243
Flash Point	142.0±13.7 °C
Exact Mass	180.115036
PSA	37.30000
LogP	2.60
Vapour Pressure	0.0±1.4 mmHg at 25°C
Index of Refraction	1.573
InChIKey	JIMXXGFJRDUSRO-UHFFFAOYSA-N
SMILES	O=C(O)C12CC3CC(CC(C3)C1)C2

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AU4452200

CHEMICAL NAME :: 3-Adamantanecarboxylic acid

CAS REGISTRY NUMBER :: 828-51-3

LAST UPDATED :: 199209

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C11-H16-O2

MOLECULAR WEIGHT :: 180.27

WISWESSER LINE NOTATION :: L 66 B6/B-H/DI A B- C 1B ITJ AVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >600 mg/kg

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

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 8,396,1974

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

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 600 mg/kg

TOXIC EFFECTS :: Behavioral - anticonvulsant

REFERENCE :: RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 43,73,1980

Safety Information

Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes	Xi: Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S22-S24/25
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	AU4452200
HS Code	2916209090

Customs

HS Code	2916209090
Summary	2916209090 other cyclanic, cyclenic or cyclotherpenic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

Articles21

Novel Bradykinin Analogues Modified in the N-Terminal Part of the Molecule with a Variety of Acyl Substituents.

Int. J. Pept. Res. Ther. 18(2) , 117-124, (2012)

In the current work we present some pharmacological characteristics of ten new analogues of bradykinin (Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg) modified in the N-terminal part of the molecule with a vari...

Trace analysis of total naphthenic acids in aqueous environmental matrices by liquid chromatography/mass spectrometry-quadrupole time of flight mass spectrometry direct injection.

J. Chromatogr. A. 1405 , 49-71, (2015)

A rapid and sensitive liquid chromatography quadrupole time of flight method has been established for the determination of total naphthenic acid concentrations in aqueous samples. This is the first me...

Unexpected fluorescent behavior of a 4-amino-1,8-naphthalimide derived beta-cyclodextrin: conformation analysis and sensing properties.

Chem. Commun. (Camb.) (27) , 4091-3, (2009)

A new fluorescent cyclodextrin shows unexpected and strong fluorescence enhancement upon binding of organic molecules, and the enhancing mechanism is found to be different from those reported in the l...

Synonyms

1-adamantylcarboxylic acid

Adamantanecarboxylic acid

1-adamantylmethanoic acid

adamantane carboxylic acid

Adamantoic acid

1-ADAMANTOIC ACID

MFCD00074720

1-Adamantanecarboxylic acid

Tricyclo[3.3.1.1]decane-1-carboxylic acid

adamant-1-ylcarboxylic acid

adamantyl-1-carboxylic acid

adamantane-1-carboxylic acid

RARECHEM AQ TC 1001

1-Adamantanecarboxylic

1-Adamantanecarboxylicacid

adamantylcarboxylic acid

EINECS 212-584-6

1-Carboxyadamantane

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