2-Butenoic acid, 2-methyl-, 3-methylbutyl ester, (2Z)-

HCID 5366155

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Basic information

CAS: 10482-55-0
Standard SMILES: C/C=C(/C)C(=O)OCCC(C)C
InChIKey: ZARFDQHJMNVNLE-UITAMQMPSA-N
Molecular formula: C10H18O2
Average molar mass: 170.25 g/mol
Monoisotopic mass: 170.13067981

Overview

3-methylbutyl (Z)-2-methylbut-2-enoate has been reported in Chamaemelum nobile with data available.

Names & identifiers

Preferred name: 2-Butenoic acid, 2-methyl-, 3-methylbutyl ester, (2Z)-
IUPAC: 3-methylbutyl (Z)-2-methylbut-2-enoate
English name: Angelic acid isoamyl ester
Molecular formula: C10H18O2
Molecular weight: 170.25

Names & synonyms

2-Butenoic acid, 2-methyl-, 3-methylbutyl ester, (2Z)-EINECS 233-985-22-Butenoic acid, 2-methyl-, 3-methylbutyl ester, (Z)-DTXSID70884475Isopentyl 2-methylcrotonate (Z)-3-Methylbutyl (2Z)-2-methyl-2-butenoateRefChem:467997DTXCID70102391110482-55-0Isoamyl angelateAngelic Acid Isoamyl Ester3-Methylbutyl angelate

Show more names

Isoamyl Angelate >Angelic acid isoamyl esterisopentyl 2-methylcrotonateISOAMYL (Z)-2-METHYL-2-BUTENOATEANGELIC ACID ISOAMYL ESTER USP/EP/BPCIS-2-METHYL-2-BUTENOIC ACID ISOAMYL ESTER

(Z)-isopentyl 2-methylbut-2-enoateMFCD00213789iso-Amyl tiglateisopentyl (Z)-2-methylbut-2-enoate3-methylbutyl (Z)-2-methylbut-2-enoate3-methylbutyl (2Z)-2-methylbut-2-enoateiso-Amylangelate(Z)-2-Methyl-2-butenoic Acid Isoamyl Ester

Database identifiers

CAS: 10482-55-0
PubChem CID: 5366155
DTXSID: DTXSID70884475
UNII: MNK8E943QL
Nikkaji: J68.565H

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 0
Complexity: 169

Physicochemical properties

Boiling point: 201 °C · 201 °C
Density: 0 · 0,89 g/cm3
refractive index: 1.437 · 1.4370-1.4390
FLAVIS Number: 9.596 · 09.596 | Isopentyl-(Z)-but-2-enoate
form: clear liquid
color: Colorless to Almost colorless
Odor: Warm-herbaceous, yet refreshing-ethereal odor with wirwy-fruity undertones.
Odor Type: floral
Cosmetics Ingredients Functions: PERFUMING
LogP: 3.597 · 3.597 (est)
EPA Substance Registry System: 2 · 2-Butenoic acid, 2-methyl-, 3-methylbutyl ester, (2Z)- (10482-55-0)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227
Precautionary statements: 210 · P210-P280-P370+P378-P403+P235-P501
TSCA: TSCA listed
HS Code: 2916199590 · 2916199590

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Regulatory Information · 2 items

Chemical: 2-Butenoic acid, 2-methyl-, 3-methylbutyl ester, (Z)-

2-Butenoic acid, 2-methyl-, 3-methylbutyl ester, (2Z)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 2-Butenoic acid, 2-methyl-, 3-methylbutyl ester, (Z)-: Environment tier I assessment

Safety data

tsca: TSCA listed
hs_code: 2916199590
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H227
Precautionary statements: P210-P280-P370+P378-P403+P235-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Butenoic acid, 2-methyl-, 3-methylbutyl ester, (2Z)-: ACTIVE

Suppliers28 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Aladdin Scientific[email protected]

Related reactions

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Compound notes

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