CAS 90-64-2|DL-Mandelic acid

Introduction:Basic information about CAS 90-64-2|DL-Mandelic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameDL-Mandelic acid
CAS Number90-64-2Molecular Weight152.147
Density1.3±0.1 g/cm3Boiling Point321.8±22.0 °C at 760 mmHg
Molecular FormulaC8H8O3Melting Point119-121ºC(lit.)
MSDSChineseUSAFlash Point162.6±18.8 °C

Names

Namemandelic acid
SynonymMore Synonyms

Chemical & Physical Properties

Density1.3±0.1 g/cm3
Boiling Point321.8±22.0 °C at 760 mmHg
Melting Point119-121ºC(lit.)
Molecular FormulaC8H8O3
Molecular Weight152.147
Flash Point162.6±18.8 °C
Exact Mass152.047348
PSA57.53000
LogP0.92
Vapour Pressure0.0±0.7 mmHg at 25°C
Index of Refraction1.591
InChIKeyIWYDHOAUDWTVEP-UHFFFAOYSA-N
SMILESO=C(O)C(O)c1ccccc1
Water Solubility150 g/L (20 ºC)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO6300000
CHEMICAL NAME :
Mandelic acid
CAS REGISTRY NUMBER :
90-64-2
LAST UPDATED :
199701
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C8-H8-O3
MOLECULAR WEIGHT :
152.16
WISWESSER LINE NOTATION :
QYR&VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3 gm/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: 64,79,1940
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 112,53,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EMSUA8 Experimental Medicine and Surgery. (Brooklyn, NY) V.1-29, 1943-71. Suspended. Volume(issue)/page/year: 4,223,1946
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Gastrointestinal - gastritis Gastrointestinal - ulceration or bleeding from stomach Liver - other changes
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: 64,79,1940 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84432 No. of Facilities: 174 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 1744 (estimated)

Safety Information

Personal Protective EquipmentEyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard CodesXn, Xi
Risk PhrasesR22;R36/37/38
Safety Phrases22-24/25-37/39-26
RIDADRNONH for all modes of transport
WGK Germany3
RTECSOO6300000
HS Code2918199090

Customs

HS Code2918199090
Summary2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

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Synonyms

MFCD00064250
(+)-MANDELIC ACID
S-mandelic acid
(S)-Mandelate
(2S)-Hydroxy(phenyl)acetic acid
Mandelic acid
(+)-(S)-MANDELIC ACID
L-MANDELIC ACID
(S)-(+)-Mandelic acid
Benzeneacetic acid, α-hydroxy-, (S)-
(S)-mandelic acid
2-Hydroxy-2-Phenylacetic Acid
S-(+)-Mandelic acid
EINECS 202-007-6
Benzeneacetic acid, α-hydroxy-, (αS)-
Benzeneacetic acid, a-hydroxy-
(2S)-hydroxy(phenyl)ethanoic acid
(+)-L-MANDELIC ACID
DL-Mandelic acid
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