Isovaleric anhydride

HCID 73847
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Basic information

CAS
1468-39-9
Standard SMILES
CC(C)CC(=O)OC(=O)CC(C)C
InChIKey
FREZLSIGWNCSOQ-UHFFFAOYSA-N
Molecular formula
C10H18O3
Average molar mass
186.25 g/mol
Monoisotopic mass
186.12559444

Names & identifiers

Preferred name
Isovaleric anhydride
IUPAC
3-methylbutanoyl 3-methylbutanoate
English name
ISOVALERIC ANHYDRIDE
Molecular formula
C10H18O3
Molecular weight
186.25

Names & synonyms

Isovaleric anhydride1468-39-93-methylbutanoic anhydride3-methylbutanoyl 3-methylbutanoateButanoic acid, 3-methyl-, 1,1'-anhydrideisopentanoic anhydrideButanoic acid, 3-methyl-, anhydrideL6G86855EHisovaleric acid anhydride3-Methylbutyric anhydrideEINECS 215-994-3ISOVALERYL ANHYDRIDE
Show more names
Diisovaleric anhydrideIsovalericAnhydride>3-METHYLBUTYRIC ANHYDRIDEISOVALERIC ANHYDRIDE 99+%3-methyl-butanoicacianhydrideBis(3-methylbutyric)anhydride3-METHYL-2-BUTANOIC-ANHYDRIDE
AI3-52401DTXSID70870878RefChem:792440DTXCID40818560215-994-3MFCD00015051IsovalericanhydrideIsovaleriansaureanhydrid

Database identifiers

CAS
1468-39-9
PubChem CID
73847
DTXSID
DTXSID70870878
UNII
L6G86855EH
EC Number
215-994-3
Nikkaji
J7.744E

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
13

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point
-65 °C · -65°C
Boiling point
103 · 103-104°C 24mm
Density
0.932 g/mL · 0.932 g/mL at 20 °C (lit.)
refractive index
20 · n20/D 1.417
Flash point
91 °C · 91°C
storage temp.
30 °C · Store below +30°C.

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H311 (86.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]

P260, P262, P264, P270, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P361+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Butanoic acid, 3-methyl-, anhydride

Isopentanoic anhydride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (86.4%)

Safety data

F
10-21
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 2922 8/PG 2
hs_code
2915.60.5000

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationButanoic acid, 3-methyl-, 1,1'-anhydride: ACTIVE

Applications

UsesIsovaleric anhydride is therefore mentioned mostly as a curiosity in perfumery. It is widely used for making useful esters of iso-Valeric acid for perfumes and flavors.

Upstream & downstream products

Suppliers57 total

常州市弘裕化工有限公司0519-89996110 13813691203 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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