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Product Name: HEXYL MANDELATE
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5431-31-2

5431-31-2 structure

5431-31-2 structure

Name: HEXYL MANDELATE
Chemical Name: hexyl 2-hydroxy-2-phenylacetate
CAS Number: 5431-31-2
Molecular Formula: C₁₄H₂₀O₃
Molecular Weight: 236.30700
Create Date: 2017-02-04 15:10:02
Modify Date: 2025-09-12 08:37:47

Name	hexyl 2-hydroxy-2-phenylacetate
Synonyms	VO6 AI 3-4202 MANDELIC ACID,HEXYL ESTER Mandelsaeure-hexylester Hexyl mandelate WLN: QYR&Hexylester kyseliny mandlove [Czech] n-hexyl 2-hydroxy-2-phenylethanoate

Density	1.059g/cm3
Boiling Point	344.6ºC at 760 mmHg
Molecular Formula	C₁₄H₂₀O₃
Molecular Weight	236.30700
Flash Point	138.2ºC
Exact Mass	236.14100
PSA	46.53000
LogP	2.84350
Index of Refraction	1.511

CHEMICAL IDENTIFICATION

RTECS NUMBER :: OO7400000

CHEMICAL NAME :: Mandelic acid, hexyl ester

CAS REGISTRY NUMBER :: 5431-31-2

BEILSTEIN REFERENCE NO. :: 3135230

LAST UPDATED :: 199712

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C14-H20-O3

MOLECULAR WEIGHT :: 236.34

WISWESSER LINE NOTATION :: QYR&VO6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,671,1986

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,671,1986 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 17 gm/kg

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

REFERENCE :: AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 15400 uL/kg

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

REFERENCE :: AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962

HS Code	2918199090

611-71-2 structure

611-71-2

111-27-3 structure

111-27-3

~%

5431-31-2 structure

5431-31-2

Literature: Das, Debapratim; Roy, Sangita; Das, Prasanta Kumar Organic Letters, 2004 , vol. 6, # 22 p. 4133 - 4136

Precursor 2
611-71-2 111-27-3
DownStream 1
93-56-1

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%

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