3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-

HCID 98497
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Basic information

CAS
91819-58-8
Standard SMILES
CC1=CCC(CC=O)C1(C)C
InChIKey
OGCGGWYLHSJRFY-UHFFFAOYSA-N
Molecular formula
C10H16O
Average molar mass
152.23 g/mol
Monoisotopic mass
152.12011513

Overview

Alpha-campholenaldehyde is an aldehyde that is acetaldehyde in which one of the methyl hydrogens is substituted by a 2,2,3-trimethylcyclopent-3-en-1-yl group. It is a constituent of the essential oil extracted from Angasomyrtus salina. It has a role as a fragrance and a plant metabolite. It is a monocyclic compound and an alpha-CH2-containing aldehyde. It is functionally related to an acetaldehyde. It derives from a hydride of a cyclopentene.

Names & identifiers

Preferred name
3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-
IUPAC
2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde
English name
2-(2,2,3-Trimethylcyclopent-3-enyl)acetaldehyde
Molecular formula
C10H16O
Molecular weight
152.23

Names & synonyms

Campholenic aldehyde3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-2,2,3-Trimethyl-3-cyclopenten-1-acetaldehydeDTXSID60859874NSC 58148NSC 96743RefChem:500837DTXCID6020991191819-58-82-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehydeCampholenealdehydealpha-Campholenic aldehyde
Show more names
alpha-campholenaldehyde2-(2,2,3-Trimethylcyclopent-3-en-1-yl)
.alpha.-Campholene aldehydeMFCD000438502-(2,2,3-trimethylcyclopent-3-enyl)acetaldehydealpha-Campholene aldehyde(R)-Campholenic aldehyde.alpha.-Campholenic aldehydeNSC-58148NSC-96743

Database identifiers

CAS
91819-58-8
PubChem CID
98497
DTXSID
DTXSID60859874
ChEBI
CHEBI:48697
UNII
3PT83BF2PD
EC Number
114-151-6
Nikkaji
J93.653G

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
11

Physicochemical properties

Boiling point
42 · 42-43 °C(Press: 1 Torr)
Density
0.878 · 0.878
refractive index
1.459 · 1.459
storage temp.
-20 °C · Inert atmosphere,Store in freezer, under -20°C
EPA Substance Registry System
3 · 3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl- (91819-58-8)
Symbol(GHS)
7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P271, P284, P304+P340, P342+P316, P403, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesResp. Sens. 1 (100%)

Safety data

tsca
TSCA listed
hs_code
2912290090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Pharmacology

Cellular LocationsExtracellular

Uses & manufacturing

Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-: INACTIVE

Applications

UsesCampholenealdehyde is a useful in probing the Lewis acidity and catalytic activity of the metal-organic framework of cupric benzene-1,3,5-tricarboxylate.

Upstream & downstream products

Suppliers9 total

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
安徽今昱生物化工产品技术研发有限公司055167162561 13295518198

Additional notes

DefinitionChEBI: An aldehyde that is acetaldehyde in which one of the methyl hydrogens is substituted by a 2,2,3-trimethylcyclopent-3-en-1-yl group. It is a constituent of the essential oil extracted from Angasomyrtus salina.

Related reactions

31 records
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Compound notes

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