α-Cyclohexylmandelic acid

Modify Date: 2024-01-02 18:26:28

α-Cyclohexylmandelic acid Structure
α-Cyclohexylmandelic acid structure
Common Name α-Cyclohexylmandelic acid
CAS Number 4335-77-7 Molecular Weight 234.291
Density 1.2±0.1 g/cm3 Boiling Point 408.6±25.0 °C at 760 mmHg
Molecular Formula C14H18O3 Melting Point 163 °C
MSDS Chinese USA Flash Point 215.1±19.7 °C
Symbol GHS05 GHS07
GHS05, GHS07
Signal Word Danger

 Names

Name 2-Cyclohexylmandelic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 408.6±25.0 °C at 760 mmHg
Melting Point 163 °C
Molecular Formula C14H18O3
Molecular Weight 234.291
Flash Point 215.1±19.7 °C
Exact Mass 234.125595
PSA 57.53000
LogP 3.33
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.574
Storage condition -20°C Freezer

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GV2770000
CHEMICAL NAME :
Cyclohexaneglycolic acid, alpha-phenyl-
CAS REGISTRY NUMBER :
4335-77-7
LAST UPDATED :
199206

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 :
2668 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 19,5182,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
708 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 19,5182,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1270 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 19,5182,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
524 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 19,5182,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
420 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: 116,154,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
245 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - excitement Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 19,5182,1985

 Safety Information

Symbol GHS05 GHS07
GHS05, GHS07
Signal Word Danger
Hazard Statements H315-H318-H335
Precautionary Statements P261-P280-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn,N,F
Risk Phrases R22:Harmful if swallowed. R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . R67:Vapors may cause drowsiness and dizziness. R65:Harmful: May cause lung damage if swallowed. R38:Irritating to the skin. R
Safety Phrases S60-S61-S62
RIDADR UN3082 9/PG 3
RTECS TF1410000
HS Code 2918199090

 Synthetic Route

 Customs

HS Code 2918199090
Summary 2918199090 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%

 Synonyms

UNII:QH762W903U
α-Cyclohexylmandelic acid
alpha-Cyclohexylmandelic acid
α-Cyclohexyl-DL-mandelic Acid
2-Cyclohexyl-2-phenylglycolic acid
Cyclohexylphenylglycolic acid
MFCD00194543
2-Cyclohexyl-2-hydroxy-2-phenylacetic acid
EINECS 224-380-4
Cyclohexyl(hydroxy)phenylacetic acid
Benzeneacetic acid, α-cyclohexyl-α-hydroxy-