HEXYL MANDELATE

Modify Date: 2024-01-17 18:43:22

HEXYL MANDELATE Structure
HEXYL MANDELATE structure
Common Name HEXYL MANDELATE
CAS Number 5431-31-2 Molecular Weight 236.30700
Density 1.059g/cm3 Boiling Point 344.6ºC at 760 mmHg
Molecular Formula C14H20O3 Melting Point N/A
MSDS N/A Flash Point 138.2ºC

 Names

Name hexyl 2-hydroxy-2-phenylacetate
Synonym More Synonyms

 Chemical & Physical Properties

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

 Toxicological Information

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

 Safety Information

HS Code 2918199090

 Synthetic Route

~%

HEXYL MANDELATE Structure

HEXYL MANDELATE

CAS#:5431-31-2

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

 Precursor & DownStream

Precursor  2

DownStream  1

 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

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