Isobutyl salicylate

Modify Date: 2025-08-24 11:36:22

Isobutyl salicylate Structure
Isobutyl salicylate structure
 Common Name Isobutyl salicylate
CAS Number 87-19-4 Molecular Weight 194.227
Density 1.1±0.1 g/cm3 Boiling Point 263.9±13.0 °C at 760 mmHg
Molecular Formula C11H14O3 Melting Point 21.4ºC
MSDS Chinese USA Flash Point 103.4±12.6 °C
Symbol GHS07
GHS07		 Signal Word Warning

 Names

Name Isobutyl Salicylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 263.9±13.0 °C at 760 mmHg
Melting Point 21.4ºC
Molecular Formula C11H14O3
Molecular Weight 194.227
Flash Point 103.4±12.6 °C
Exact Mass 194.094299
PSA 46.53000
LogP 3.64
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.524

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VO4320000
CHEMICAL NAME :
Salicylic acid, isobutyl ester
CAS REGISTRY NUMBER :
87-19-4
BEILSTEIN REFERENCE NO. :
2615955
LAST UPDATED :
199712
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C11-H14-O3
MOLECULAR WEIGHT :
194.25
WISWESSER LINE NOTATION :
QR BVO1Y1&1

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 :
1560 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,813,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (2),25,1994
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,813,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6886 No. of Facilities: 1271 (estimated) No. of Industries: 4 No. of Occupations: 9 No. of Employees: 14630 (estimated) No. of Female Employees: 9012 (estimated)

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn:Harmful;
Risk Phrases R22
Safety Phrases S36
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS VO4320000
HS Code 2918230000

 Synthetic Route

isobutanol structure

isobutanol

CAS#:78-83-1

Salicylic acid structure

Salicylic acid

CAS#:69-72-7

~85%

Isobutyl salicylate Structure

Isobutyl salicylate

CAS#:87-19-4

Literature: Organic Letters, , vol. 7, # 22 p. 5047 - 5050 Tetrahedron, , vol. 63, # 35 p. 8645 - 8657
isobutanol structure

isobutanol

CAS#:78-83-1

Benzoyl peroxide structure

Benzoyl peroxide

CAS#:94-36-0

~%

Isobutyl salicylate Structure

Isobutyl salicylate

CAS#:87-19-4

4-Isobutoxybenzoic acid structure

4-Isobutoxybenz...

CAS#:30762-00-6

Detail
Literature: Chemische Berichte, , vol. 58, p. 768

 Customs

HS Code 2918230000
Summary 2918230000 other esters of salicylic acid and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

EINECS 201-729-9
Benzoic acid, 2-hydroxy-, 2-methylpropyl ester
Isobutyl salicylate
2-methylpropyl 2-hydroxybenzoate
MFCD00020035
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