3-Methyl-2-butenal

Name: 3-Methyl-2-butenal
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 160361

CAS 107-86-8C5H8OMW 84.06 g/mol

3-Methyl-2-butenal (CAS 107-86-8) — formula C5H8O, molecular weight 84.06 g/mol.

Specifications

CAS Number107-86-8

Molecular FormulaC5H8O

Molecular Weight84.06 g/mol

Melting Point-20 °C

Boiling Point134 °C

LogP0.53

Purchase Profile

What this product is

3-Methyl-2-butenal is a chemical compound with CAS registry number 107-86-8 and molecular formula C5H8O (molecular weight 84.06 g/mol).

Identification

CAS number: 107-86-8

Its molecular formula C5H8O comprises 5 C, 8 H, 1 O atoms.

Also known as: 3-Methyl-2-butenal · 3-methylcrotonaldehyde

Frequently Asked Questions

What is the CAS number of 3-Methyl-2-butenal?

The CAS registry number of 3-Methyl-2-butenal is 107-86-8.

What is the molecular formula and molecular weight of 3-Methyl-2-butenal?

Molecular formula C5H8O, molecular weight 84.06 g/mol.

What other names is 3-Methyl-2-butenal known by?

It is also registered under: 3-Methyl-2-butenal, 3-methylcrotonaldehyde.

PubChem Public Data

Public-database records for 3-Methyl-2-butenal (CAS 107-86-8), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statements	H226 (100%), H302 (100%), H314 (99.7%), H317, H318 (89.1%), H331, H370, H372

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Regulatory listings

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Almond, Roasted No safety concern at current levels of intake when used as a flavouring agent

Physical description and handling notes

Colorless to yellow liquid with a pungent odor; [ICSC] Colorless liquid; [Alfa Aesar MSDS]
Liquid
COLOURLESS-TO-YELLOW LIQUID WITH PUNGENT ODOUR.
Colourless liquid; almond, mild-buttery aroma
slightly
溶解度 in water, g/100ml at 20 °C: 11 (good)

Reported physical properties

沸点	134 °C
沸点	136 °C
沸点	133-135 °C
熔点	-20 °C
闪点	37 °C
密度	0.9 g/cm³
密度	0.870-0.875
蒸气压	5.6 [mmHg]
LogP	0.53
自燃温度	145 °C

How this substance is indexed

CAS Registry Number	107-86-8
PubChem CID	61020
分子式	C5H8O
分子量	84.06 g/mol
IUPAC 名称	3-methylbut-2-enal
InChIKey	SEPQTYODOKLVSB-UHFFFAOYSA-N
UNII（FDA）	2JZ2B60W76
ChEBI 编号	CHEBI:15825
FEMA 编号	3646
JECFA 编号	1202

Documented uses

Used as a flavoring agent; [FDA] Used to make citral and other chemicals and for the reconstitution of essential oils and other natural products; [OECD SIDS: IUCLID Data Set]
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index

Names this substance appears under

3-Methyl-2-butenal; 3-Methylbut-2-enal; 107-86-8; Senecialdehyde; 3-Methylcrotonaldehyde; 3,3-Dimethylacrolein; Senecioaldehyde; 2-BUTENAL, 3-METHYL-; Crotonaldehyde, 3-methyl-; beta-Methylcrotonaldehyde; beta,beta-Dimethylacrolein; 3,3-Dimethyl-acrylaldehyde; beta,beta-Dimethylacrylic aldehyde; FEMA No. 3646; DTXSID8029606; 2JZ2B60W76

Computed molecular descriptors

分子量	84.12
XLogP3	1.2
氢键供体数	0
氢键受体数	1
可旋转键数	1
精确质量	84.057514874
单同位素质量	84.057514874
拓扑极性表面积	17.1
重原子数	6
形式电荷	0

Database abstract

3-Methyl-2-butenal is identified by CAS 107-86-8, molecular formula C5H8O and molecular weight 84.06 g/mol. UNII 2JZ2B60W76; ChEBI 15825; InChIKey SEPQTYODOKLVSB-UHFFFAOYSA-N. 沸点: 134 °C; 沸点: 136 °C; 沸点: 133-135 °C.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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